User talk:Benjah-bmm27

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Sometimes I accidentally omit the {{PD-user|Benjah-bmm27}} tag that I intend to include with all my uploads. An archive of all comments originally posted on this talk page regarding missing licenses can be found at User:Benjah-bmm27/licensing. Any image discussed in the archive now has a license. Other old posts are kept at User talk:Benjah-bmm27/Archive 1.

Ben 16:15, 22 April 2007 (UTC)


Contents

File:Beta-D-glucose-from-xtal-3D-balls.png[edit]

Dear Dr. Mills,

I am a permissions editor for a textbook publisher and I am currently working on a biochemistry textbook and I would like to use your image of Ball-and-stick model of the β-D-glucose molecule, C6H12O6, as found in the crystal structure. I was wondering if I could get a confirmation of public domain from you? Thank you your time and assistance.

Lauren

Hi Lauren,
I'm not Dr Mills yet, give me another four years!
I can confirm that I have released File:Beta-D-glucose-from-xtal-3D-balls.png into the public domain.
Best wishes, Ben (talk) 17:04, 25 June 2012 (UTC)

Location?[edit]

Hi Benjah - can you add a photo location to File:Alectoris-rufa-with-young.jpg, please? Thanks! - MPF (talk) 22:42, 13 August 2012 (UTC)

Category:Aspirin[edit]

77.184.48.22 04:56, 11 October 2012 (UTC)

A barnstar for you![edit]

Graphic Designer Barnstar Hires.png The Graphic Designer's Barnstar
Bonjour,

i' m writing a book (160 pages, 300 pictures) in France about hemp agriculture…Is it possible to illustrate it with the picture of :

File:L-cysteine-3D-vdW2.png Description L-cysteine 3-D | Source Derivative work of User:Benjah-bmm27 | Date 09-29-07 | Author Photohound Category:L-cysteine ... (1 100 × 979 (245 Kio)) - 22 mai 2010 à 13:53  Source Derivative work of User:Benjah-bmm27....

I have read that this picture is in the public domain... But can i have your exclusive authorisation to use it for my book…  Have you maybe an high résolution version ? i will thanks your under this photo…as a pub, which name must i write ? Thank you for your help…  Jah-ova (talk) 22:40, 1 November 2012 (UTC)

Hi Jah-ova, thanks for the barnstar! You are welcome to use File:L-cysteine-3D-vdW2.png for your book. As I have released the image into the public domain, I cannot grant exclusive rights to it - it is already unleashed on the world, if you like. I could make you a similar image at high resolution. I am quite busy with real life at the moment, what's the deadline? --Ben (talk) 09:13, 2 November 2012 (UTC)

A barnstar for you![edit]

Graphic Designer Barnstar Hires.png The Graphic Designer's Barnstar
i have already a 1100 x 979 in 72 dpi version, do you think it will be enough for my book ? dead line : 2 or 3 weeks... Jah-ova (talk) 22:38, 2 November 2012 (UTC)
Ask your publisher if that image size is sufficient - if not, ask me again. Best wishes, Ben (talk) 10:37, 3 November 2012 (UTC)

File:Naphthalene-numbering-2D-skeletal.png[edit]

Hi Benjah-bmm27, the numbering of the C-atoms in this image shold be corrected from 9/10 (which would be correct for saturated HCs) to 4a/8a which is common for aromatic systems. Thanks --Mabschaaf (talk) 09:01, 13 November 2012 (UTC)

Your captopril structure has an error[edit]

The factual accuracy of the chemical structure File:Captopril-3D-vdW.png is disputed[edit]

Dispute notification The chemical structure File:Captopril-3D-vdW.png you uploaded has been tagged as disputed and is now listed in Category:Disputed chemical diagrams. Files in this category are deleted after one month if there is no upload of a corrected version and if there is no objection from the uploader or other users. Please discuss on the file talk page if you feel that the dispute is inappropriate. If you agree with the dispute, you can either upload a corrected version or simply allow the file to be deleted.

In all cases, please do not take the dispute personally. It is never intended as such. Thank you! --Methano (talk) 04:53, 1 December 2012 (UTC)


Hi Methano, I've uploaded a new image, File:Captopril-from-xtal-1980-3D-sf.png, based on the crystal structure. I might just fix File:Captopril-3D-vdW.png rather than let it be deleted. Cheers, Ben (talk) 09:03, 21 December 2012 (UTC)

Image request: third form of Co2(CO)8[edit]

In addition to File:Dicobalt-octacarbonyl-non-bridged-3D-balls.png and File:Dicobalt-octacarbonyl-bridged-3D-balls.png/File:Dicobcalt-octacarbonyl-from-xtal-3D-balls.png, there is a third isomer of this compound discussed in doi:10.1021/ic50168a037. Could you render it in the same style as the others to complete the set? The structure is (CO)4Co–Co(CO)4 with each Co having trigonal–bipyrimidal geometry but each Co occupies an equatorial position on the other (unlike File:Dicobalt-octacarbonyl-non-bridged-3D-balls.png, where they are trigonal–bipyrimidal but each Co axial on the other). And it has the Co–Co conformation placing the axial axis of each Co rotated 90° from the other. DMacks (talk) 04:33, 9 December 2012 (UTC)

Ahah, found we already have a skeletal of it--File:CobaltCarbonyl.png--easier than my simply trying to describe it:) DMacks (talk) 18:52, 9 December 2012 (UTC)

Done: File:Dicobalt-octacarbonyl-D2d-non-bridged-3D-balls.png, File:Dicobalt-octacarbonyl-D2d-non-bridged-end-on-3D-balls.png. Sorry for the delay. --Ben (talk) 11:09, 21 December 2012 (UTC)

No worries, thanks for working on them. However, is the conformation correct? File:Dicobalt-octacarbonyl-D2d-non-bridged-end-on-3D-balls.png appears to have 45° dihedral but the ref says "The two cobalt trigonal bipyramids are visualized as oriented 90’ with respect to one another." That would make the ligands eclipsed along the Co–Co bond? DMacks (talk) 21:07, 23 December 2012 (UTC)

Thanks DMacks, I've fixed them now. --Ben (talk) 10:41, 31 December 2012 (UTC)

Look great! DMacks (talk) 15:02, 31 December 2012 (UTC)

User talk:Leyo#Molecules[edit]

Hi Ben. Is there anything you would like to add there? You are clearly more experienced in creating 3D images of molecules than I am. --Leyo 15:29, 12 January 2013 (UTC)

File:Dithionate-2D-dimensions.png[edit]

Just to let you know, I just tagged your structure as disputed, because there the angle is obviously incorrect. Maybe you could check, please. --Mabschaaf (talk) 20:54, 12 January 2013 (UTC)

Yes, my mistake. It should read 103° rather than 215°, which I must have copied from the S-S bond length of 215 pm and forgotten to change the value. I will update it ASAP. --Ben (talk) 12:54, 13 January 2013 (UTC)

Aspartame Error?[edit]

Hi Ben, Thank you so much for all the hard work creating the wonderful molecular models! As I was looking at the aspartame model I noticed that the nitrogen molecule on the left appears to have three hydrogens attached instead of two. Is that a little mistake? — Preceding unsigned comment added by 63.123.95.253 (talk • contribs)

This image shows the zwitterionic form. --Leyo 00:18, 15 January 2013 (UTC)

File:Phosphoric-acid-2D.svg[edit]

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DMacks (talk) 11:25, 2 June 2013 (UTC)

File:Phosphoric-acid-2D-dimensions.svg[edit]

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DMacks (talk) 11:30, 2 June 2013 (UTC)


Zirconocene dichloride geometry[edit]

In your File:Zirconocene-dichloride-2D-skeletal.png, you appear to have the Cp–Zr–Cp linear (like in ferrocene) rather than bent (like your File:Zirconocene-dichloride-from-xtal-3D-balls.png). At best, it's from a special perspective (like a Fisher projection?) that makes the geometry confusing. A side perspective like File:Cp2Ti(CO)2.png is more standard from the literature I've seen. DMacks (talk) 21:48, 27 July 2013 (UTC)

Thanks for pointing this out DMacks. It was really intended to go alongside other diagrams so that, taken together, the structure is clear. See Wikibooks:A-level Chemistry/OCR (Salters)/Open-Book Paper/Discovery and development of metallocene catalysts. However, I see the image is used on various different Wikis and could be clearer, so I will make a new one. --Ben (talk) 10:57, 28 July 2013 (UTC)

Benzoylecgonine image?[edit]

Please see this Wikipedia discussion - briefly I think the stereochemistry in this image may be wrong (or the stereochemistry in the other accompanying images is wrong). Thanks. (Stillnotelf on en-wiki) -- 63.142.216.252 00:49, 30 July 2013 (UTC)

File:Ketamine-2D-skeletal.png[edit]

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Starless (talk) 19:05, 18 September 2013 (UTC)

Two very similar images[edit]

Do you know what the use-case or difference is between these diagrams of yours?

They are same dimensions and visually the same. They differ by 2K filesize but I can't figure out what that difference is. DMacks (talk) 06:27, 3 January 2014 (UTC)

I think the one ending -web was exported from Photoshop using a setting designed to optimise the image for web browsing. The actual difference is probably pretty subtle. I'm not really sure what exactly it does differently. Maybe the order in which the lines are downloaded? --Ben (talk) 11:48, 3 January 2014 (UTC)

File:Azo-coupling-A-2D-skeletal.png[edit]

And also:

Hi Benjah-bmm27. Your files listed above are in Category:Chemical images that should use vector graphics. Could you please check, if the tag may be removed (in the case of high resolution PNGs), if there is already an SVG version, or if you consider uploading an updated version of higher resolution/quality on top of the old? Thank you. Leyo 13:45, 27 January 2014 (UTC)

Hi Leyo. These PNGs are all pretty hi-res. I haven't made SVG versions - I tried a while ago but the results were not good enough. If higher quality is required, I can provide that, but these images are all at least 1000 px wide or tall. Ben (talk) 14:15, 27 January 2014 (UTC)
My goal is to have the images that are of high quality or that have been replaced removed from this category. I guess that for most of your files that tag may just be removed with reference to the category description. I provided this list using VFC to be able to review all tagged uploads of yours at once. --Leyo 16:43, 27 January 2014 (UTC)

Lithium Carbonate[edit]

Hi Benjah, recently a user brought it to my attention that Lithium carbonate is the most commonly prescribed type for mood affective disorders such as Bipolar disorder. The page currently displays the chemical structure of lithium citrate instead. I think the user raised a fair point when he said lithium carbonate should be the one shown. However, I could not find much on Wikimedia Commons. I found a couple of images but no stick-ball figures or 3-D figures of the chemical structure. I found one poorer quality image of lithium carbonate's chemical structure. I am unfamiliar with the programs used to create these images. Would you be willing to help with that? I can be reached on my talk page here on Wikimedia Commons or on Wikipedia (I prefer the latter, but your choice). I hope you'll help since I think it really would be a great addition to the article and your expertise would be very helpful. Thank you! TylerDurden8823 (talk) 02:52, 28 March 2014 (UTC)

File:Dinitrogen-pentoxide-2D.png[edit]

Hello Benjah-bmm27, after a discussion in the german wikipedia we have some doubts if the angles visible in that picture are valid. At least different source seems to state different valid ones. Our best source (sorry it is a german book, but it shows a three dimentional structure) says it angle of 133° is not the NON-angle but the twisting/rotating angle between the planar NO3 units. The NON angle is given with 111.8°. Also if you have a look to table 3 in this document there is a "r" in front of the 133° values, which sounds for me like "rotating" and provide two additional angles (this document also give in the table 3 a list of different values taken from different studies). Also this source talks about rotating. Maybe the N=O=N angle is also 133°, but then it is irritating for me why N-O=N is given with 116° because 360 - 133° - 116 ° = 111°, what means one N-O=N is 111° and the other is 116° ? If N=O=N is not given directly (only indirectly as 360° - 2*116° = 128°) and the 133° is the rotating angle all would be fine, but thats only my assumption. Could you please have a look and give your opinion to that ? Thanks. Rjh (talk) 06:18, 9 May 2014 (UTC)

Hi Rjh, thanks for reminding me about this molecule! Steudel's book looks like an excellent source (I can read enough German to understand what is written there. I'll have a careful look at the other references you've kindly provided and ask some colleagues their opinion. I hope to update the image tomorrow. Best wishes, Ben (talk) 13:34, 9 May 2014 (UTC)
Any new insights so far? --Leyo 19:31, 24 May 2014 (UTC)

Hi both, the best recent reference I have found for the structure of gaseous N2O5 is B. M. McClelland, A. D. Richardson, K. Hedberg, Helv. Chim. Acta, 2001, 84, 1612-1624, title A Reinvestigation of the Structure and Torsional Potential of N2O5 by Gas- Phase Electron Diffraction Augmented by Ab Initio Theoretical Calculations, doi: 10.1002/1522-2675(20010613)84:6<1612::AID-HLCA1612>3.0.CO;2-K. Despite the flexibility of the molecule on account of the N-O-N=O torsion angles, the study provides accurate values for the other structural parameters. For the most stable conformation, the rg distances are N-O 1.505(4) Å and N=O 1.188(2) Å. The alpha angles are N-O-N 112.3(17)°, O=N=O 134.2° and O-N=O 112.8°. The most stable conformation has torsion angles N-O-N=O equal to 33.7°, give or take approximately 3-4°. There is estimated to be a difference between two symmetry non-equivalent O-N=O angles of 6.7°.

What do you think of this new information? Ben (talk) 18:25, 3 June 2014 (UTC)

See File:N2O5 from McClelland et al 2001.png for a diagram. Ben (talk) 18:42, 3 June 2014 (UTC)

File:Chlordane-3D-balls.png[edit]

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Leyo 20:40, 27 May 2014 (UTC)

Would like to consider working together[edit]

Am a Prof in the US, without time to do figures for the chem articles I edit. Maybe we could be a 1-2 punch. You use chem draw I presume? You inorg, ochem, or struct chem in your training? Cheers, Le Prof Leprof 7272 (talk) 14:36, 28 May 2014 (UTC)

Hi Le Prof, I'm happy to do a few figures here and there. I'm pretty busy myself with my PhD, so I may not always be available, but we can discuss that on a case-by-case basis. I've done research in a variety of areas, notably organometallic kinetic and mechanistic studies, X-ray crystallography and currently organic materials chemistry. Did you have any particular projects in mind at present? Cheers, Ben (talk) 17:12, 2 June 2014 (UTC)
Glad to hear back from you; timing is perfect, just spent a half day creating a Flippin Lodge image from Heathcock's original Aldrichimica Acta article, and I can tell you, graphics is not my thing. I will begin to look about for the next best thing. Look here for a list of images I have done (very short). And stay focused, and upbeat, it's a hard grind. (You know the work of TK Hollis at Mississippi, by any chance?) Cheers, Le Prof. Leprof 7272 (talk) 23:36, 10 June 2014 (UTC)

Chip fire[edit]

Chip-pan-fire.jpg

Just gotta ask.....did this get put out before there was much damage...or is that a silly question? My stove fire was much smaller and it still destroyed the microwave and stove.--Amadscientist (talk) 23:25, 28 May 2014 (UTC)

Short answer: it burned itself out in a few seconds! This was actually a deliberate and controlled demonstration by an experienced secondary school science teacher. It starts out as a small metal beaker full of molten burning candle wax, and a small cup of water is added. The water sinks to the bottom of the beaker (being denser than the molten wax), comes into contact with the very hot metal surface, and immediately evaporates, ejecting the liquid wax above into the air in a plume of burning droplets. The quantities of water and wax were chosen so that all the flammable material burns away while airborne, leaving little residue or damage, except a black mark on the fireproof ceiling tiles above. The table surrounding the bunsen burner was covered in fireproof mats to prevent damage to the underlying wood. Without these and other precautions, this experiment could easily be very dangerous, as you can imagine! Ben (talk) 17:21, 2 June 2014 (UTC)
From long experience, I would have done this alone, out in a field, with no one besides myself, and a friend with the volunteer fire department on standby (if at all). Indoors? People watching? School setting? Not a chance in... well, what the picture reminds you of. And this from one who has made, used, and quenched every RLi reagent commercially available (and some not), who has done neat Et2Zn additions from cylinder at building leveling scales. I just have this thing about not killing innocents, or torching taxpayer-funded venues, if I can avoid.One has to wonder if the school principle was in the market for a new building. mdr Le Prof Leprof 7272 (talk) 23:54, 10 June 2014 (UTC)

File:Acetylacetone-enol-3D-balls.png pi-bond position[edit]

Hope you don't mind the change I made to your image--feel free to undo if so, and I'll upload it to a different name. I usually have a heck of a time getting these to go where I want in modelling software, so I just gimped it. DMacks (talk) 16:26, 2 June 2014 (UTC)

Hi DMacks, no problem, looks much better. Thanks! Ben (talk) 16:57, 2 June 2014 (UTC)

Software used for File:NaCp-chain-from-xtal-3D-balls-C.png[edit]

Hi, what software did you use to obtain File:NaCp-chain-from-xtal-3D-balls-C.png? ScotXW (talk) 10:38, 9 June 2014 (UTC)

Hi ScotXW, I forgot to add my usual line to the image description file, so here it is: "image generated in Accelrys DS Visualizer."
Do you need any further information or assistance? I've prepared a step-by-step guide to making images using this software, it's at en:User:Benjah-bmm27/MakingMolecules.
Cheers, Ben (talk) 13:23, 9 June 2014 (UTC)

First collaboration?[edit]

This is too easy, but it would see immediate use (same day insertion into articles). See this image: [1], and these sources for context [2] and [3]. Could you consider creating an image just like this (numbered and bay region labeled)? Nearly exact replica is fine, Chemdraw Evans template preferred, and I would use small bold numbers, sans serif font like Arial, and soften the colour (e.g., to a web-safe maroon like 660000 or 990000, rather than a pure red). A 3D model of your usual quality could and should eventually follow, but the flat line-angle is all that is needed immediately. Cheers, TY in advance, Le Prof Leprof 7272 (talk) 18:37, 12 June 2014 (UTC)

How's this? Ben (talk) 09:13, 13 June 2014 (UTC)
I would prefer the background to be transparent and maybe to have the atom numbers colored in blue. --Leyo 00:50, 14 June 2014 (UTC)

File:Acetonitrile-skeletal.png[edit]

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Kopiersperre (talk) 15:00, 3 July 2014 (UTC)

File:Methane-2D-flat-small.png[edit]

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JuTa 07:52, 13 July 2014 (UTC)

File:Methane-CRC-MW-3D-vdW.png[edit]

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JuTa 07:56, 13 July 2014 (UTC)

Add an H to File:Glyphosate-3D-vdW.png?[edit]

Looks like this structure is seen from a perspective where only one of the phosphonic acid hydrogen atoms is visible, with the other either omitted or at best hidden behind its oxygen. Could you re-orient this structure a bit so that both can be seen, analogous to File:Glyphosate-3D-balls.png and the various skeletal diagrams in Category:Glyphosates? DMacks (talk) 18:57, 31 August 2014 (UTC)

Incorrect stereochemistry of (S)-fluoxetine[edit]

The file File:(S)-fluoxetine-3D-balls.png's geometry is currently under dispute, I asked more experienced chemists than myself before I added this dispute on this structure's commons page. The discussion I've had so far on its stereochemistry may be found here [4]. Thanks for your time. Brenton (talk) 18:31, 17 October 2014 (UTC)

Thanks Brenton, I agree with you on this. I've swapped File:R-fluoxetine-3D-balls.png and File:S-fluoxetine-3D-balls.png over. Cheers, --Ben (talk) 22:27, 17 October 2014 (UTC)

Incorrect amine chemistry of bortezomib[edit]

Hi Ben, I've noticed File:Bortezomib-from-PDB-2F16-3D-balls.png has a hydrogen attached to the position #1 nitrogen in the pyrazine ring when simple valency rules say said hydrogen should not exist which it doesn't in this 2D structure File:Bortezomib.svg. I realize this hydrogen was probably there in the original PDB but still, just thought you'd like to know. Plus out of curiosity is there a reason why you don't crop your 3D structures? By that I mean in your structures there is plenty of empty space, so I wonder why you don't just crop them as it would make it easier to fit them into drugboxes & chemboxes. Don't get me wrong, I am grateful for your images, they're great, but still giving my two cents worth on how you might improve them. Thanks for your time. Brenton (talk) 06:32, 26 November 2014 (UTC)

Hi Brenton, thanks for highlighting this issue. I'll see if I can recreate the image without the proton. I assume it was present in the PDB file, but I can't open it on this computer at present.
Regarding the space around my images, I deliberately add a 5% margin around each image to comply with en:Wikipedia:Manual of Style/Chemistry/Structure drawing#Generating PNG files. This is important as it creates white space that makes the images look neater when on the page. Do you think Chemboxes would be better without white space? If so, we can discuss it at en:WT:CHEMISTRY. Cheers, --Ben (talk) 11:15, 26 November 2014 (UTC)

Geometric basis for NAD+/NADH[edit]

You have a bunch, such as File:NAD-2FM3-skeletal-3D-balls.png that note the origin of the conformation being illustrated. I'm working on an en.wp article about their geometry and found that these:

do not cite or explain their origin. It seems to be pretty important for some inter- and intramolecular aspects of the reactivity (and possibly highly variable depending on what else is bound...see [[[en:Nicotinamide adenine dinucleotide#Oxidoreductase binding of NAD]] and its associated talkpage if you're interested). DMacks (talk) 19:40, 28 November 2014 (UTC)

Hi DMacks, interesting project. These three images you list are just really badly minimised structures based on skeletal formulae. I should really sort those out - thanks for letting me know. --Ben (talk) 23:03, 28 November 2014 (UTC)

Wikipedia 'List of cocaine analogues' article images needed[edit]

Hello,

I notice you make a lot of molecular structure 2D images. I am currently restricted to a library computer and cannot make images for upload.

I was wondering if you could assist me in my endeavor of adding certain images for inclusion at the Wikipedia 'List of cocaine analogues' page.

What I need is mostly those from Singh's SAR of Cocaine paper (45 pages in on the page finder; pg. 970 or so as enumerated on the paper itself: the chemical structures 183a-(through)-d, 184a & b, 185a-d, 186-188 on 'Scheme 42', on pg. 50 (974) structures 196a-o, 197a-g, 198a-e, 199a & b, 200 & 201a-e ... and more down to page 61 or so; namely N-modified analogs & such.)

Any help making these would be greatly appreciated. Nagelfar (talk) 21:46, 24 February 2015 (UTC)

DMSO geometry[edit]

Hi Ben! The accuracy of your DMSO image on double bond has been questioned. Do you have a source for the data used? I like these sort of images a lot so I hope we can put the image back with a source or perhaps we should consult the literature for other data. Thanks! V8rik (talk) 18:16, 9 March 2015 (UTC)

Hi V8rik, thanks very much for highlighting this discussion. I must have made an error, which I should be able to fix soon. Cheers! --Ben (talk) 19:04, 9 March 2015 (UTC)

File:Acetic-acid-2D-skeletal.png[edit]

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Kopiersperre (talk) 09:51, 3 May 2015 (UTC)

The factual accuracy of the chemical structure File:Cyclopyrrolone-2D-skeletal.png is disputed[edit]

Dispute notification The chemical structure File:Cyclopyrrolone-2D-skeletal.png you uploaded has been tagged as disputed and is now listed in Category:Disputed chemical diagrams. Files in this category are deleted after one month if there is no upload of a corrected version and if there is no objection from the uploader or other users. Please discuss on the file talk page if you feel that the dispute is inappropriate. If you agree with the dispute, you can either upload a corrected version or simply allow the file to be deleted.

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File:Iron(III)-nitrate-nonahydrate-sample.jpg[edit]

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Michał Sobkowski (talk) 09:39, 24 June 2015 (UTC)


The factual accuracy of the chemical structure File:Paroxetine-from-HCl-xtal-2D-skeletal.png is disputed[edit]

Dispute notification The chemical structure File:Paroxetine-from-HCl-xtal-2D-skeletal.png you uploaded has been tagged as disputed and is now listed in Category:Disputed chemical diagrams. Files in this category are deleted after one month if there is no upload of a corrected version and if there is no objection from the uploader or other users. Please discuss on the file talk page if you feel that the dispute is inappropriate. If you agree with the dispute, you can either upload a corrected version or simply allow the file to be deleted.

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Message tied up in Ribbon.jpg Hello, Benjah-bmm27. You have new messages at Ellin Beltz's talk page.
You may remove this notice at any time by removing the {{Talkback}} or {{Tb}} template.

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The factual accuracy of the chemical structure File:Trifluralin-partially-based-on-xtal-3D-balls.png is disputed[edit]

Dispute notification The chemical structure File:Trifluralin-partially-based-on-xtal-3D-balls.png you uploaded has been tagged as disputed and is now listed in Category:Disputed chemical diagrams. Files in this category are deleted after one month if there is no upload of a corrected version and if there is no objection from the uploader or other users. Please discuss on the file talk page if you feel that the dispute is inappropriate. If you agree with the dispute, you can either upload a corrected version or simply allow the file to be deleted.

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... and File:Trifluralin-3D-matt-sf.png too. (I hope you're doing well, Ben). Regards, Ed (Edgar181) 19:27, 19 October 2015 (UTC)

Orbitals[edit]

Hello Benjamin! I was searching through your uploads to find general bonding and antibonding π-orbitals (like these but in your style). Do you have those? What software do you use to draw them? Thank you! — Maksim Fomich (talk) 13:22, 22 November 2015 (UTC)

Hi Maksim,
I have a few such images, for example File:Enolate-pi-MOs.png. You can find some of them at Category:Molecular orbitals. If memory serves me well, I made these ones using Spartan, but I don't have access to that particular software any more. Generally speaking, you need ab initio quantum chemistry software to generate these molecular orbital images accurately, and it costs a fair amount of money.
Best wishes,
Ben (talk) 23:14, 23 November 2015 (UTC)

Category:Benzopyrene[edit]

Leyo 23:34, 3 December 2015 (UTC)

File:Trifluralin-partially-based-on-xtal-3D-balls.png[edit]

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Leyo 02:50, 2 January 2016 (UTC)

File:Trifluralin-3D-matt-sf.png[edit]

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Leyo 02:51, 2 January 2016 (UTC)

A beer for you![edit]

Export hell seidel steiner.png Thanks for all the molecular models :) Btw, what Material/lighting settings do you use to make your models look like that? They are perfect :D Malmriv (talk) 13:59, 3 February 2016 (UTC)
Hi Malmriv, thanks for the brew! I use a white light and a grey light, and shine them on the model from the top right and bottom left, respectively. At least, that's my recollection - I haven't made many models recently. In the very old version of DSV I use, there aren't any materials settings, so you'll have to play around with them to try and match it. Good luck! --Ben (talk) 15:24, 3 February 2016 (UTC)

Conformation of ketamine[edit]

Your File:S-ketamine-3D-balls.png has the aromatic ring equatorial whereas your File:R-ketamine-3D-balls.png has it axial. Your File:S-(+)-ketamine-from-xtal-3D-balls.png, with lit-cited conformation, has it axial. So first, does the equatorial file have have a use? And second, that (R) file is not the same conformation as the (S)-xtal one (methylamine chain rotation compared to carbonyl) even though they are enantiomeric chemicals. Would it be more correct to replace the (R) file with an exact mirror image of the (S)-xtal one? DMacks (talk) 09:52, 16 April 2016 (UTC)

Hi DMacks, thanks for spotting this issue. The non-crystal structures were apparently just me following the skeletal formulae and making a rough model without considering cyclohexanone conformations properly. I will update the two old images, and their 2D counterparts File:S-ketamine-2D-skeletal.png and File:R-ketamine-2D-skeletal.png. I'll update the relevant articles, too. Cheers, Ben (talk) 13:24, 16 April 2016 (UTC).

File:Nitrobenzene-reduction.png[edit]

Importing what another editor wrote in an incorrect place... DMacks (talk) 15:29, 19 April 2016 (UTC)

In your diagram, you indicate Sn to be a catalyst. It's the reducing agent and gets oxidised in this reaction, so it's not really a catalyst. — Preceding unsigned comment added by Griffinsdj (talk • contribs) 12:56, 19 April 2016 (UTC) (UTC)

Thanks to you both for informing me. I actually realised this for myself earlier today - great minds, eh? I've fixed it now. Cheers. --Ben (talk) 15:55, 19 April 2016 (UTC)

File:Diazepam-3D-balls.png[edit]

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DMacks (talk) 05:30, 1 May 2016 (UTC)

Thanks for letting me know, I've commented at the entry. Cheers. --Ben (talk) 11:27, 1 May 2016 (UTC)

File:Dioxin-2D-skeletal.svg[edit]

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DMacks (talk) 14:38, 25 July 2016 (UTC)

File:Dorzolamide-2D-skeletal.png[edit]

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DMacks (talk) 03:50, 31 July 2016 (UTC)

Pd(OAc)2 x-ray structures[edit]

File:Palladium(II)-acetate-chain-from-xtal-2004-CM-3D-balls.png is a great diagram, but seems to be a less-common (or at least one of two alternative) forms of this substance. A recent C&EN (I added its cite to the en.wp article) reminded me of its interesting trimeric form, whose X-ray structure determination is also cited. Would you be able to generate an analogous 3D-balls diagram of this form? Also, a nit in the existing linear-polymeric diagram: the gray lines suggest there is Pd–Pd bonding, which I don't think is correct. Maybe a dotted line or something to illustrate this geometric alignment without implying an actual bond? DMacks (talk) 02:58, 9 August 2016 (UTC)

Hi DMacks. I can certainly make a new image or two. I included this chain form of Pd(OAc)2 in the WP article because the paper I based the image on said "it seems to be the most easily obtained form" and has "higher thermodynamic stability". However, en:Palladium(II) acetate currently implies the trimeric form is more commonly used. I'm happy to defer to consensus on which form is more important. Regarding the Pd-Pd bonds in my existing image, this was included in the original CIF. The accompanying paper says "the higher thermodynamic stability of the polymeric form is related to the mutual orientation of the [PdO4] planes of adjacent complexes, which provides stronger Pd-Pd interactions", but I doubt these are anything like as strong as a full Pd-Pd bond in, e.g., http://dx.doi.org/10.1021/ic301629m. Perhaps a dashed line as you suggest is best. --Ben (talk) 10:19, 9 August 2016 (UTC)
It seemed like the most common prep (according to the C&EN article) gave the trimer, but I haven't actually played with this Pd source since...maybe ever myself:) For the WP article, I was also hoping to match what the photo had (orange, which is apparently trimer vs linear that is described as pink). I don't have access to the full paper for the X-ray structures, but the Pd–Pd distance mentioned in the abstract did seem long compared to full bonds (such as those Inorganic Chemistry article's examples). I usually assume that unless stated otherwise or discussed with other calculations, bonds in X-ray structure publications are mostly just guessesneighbor-distance analysis:) DMacks (talk) 04:31, 10 August 2016 (UTC)
I've created new images of both forms, from a few different viewpoints for each form. The images are all now uploaded to Category:Crystal structures of palladium(II) acetate. Let me know if you think any further tweaks would help. Interesting topic, thanks for highlighting it! --Ben (talk) 10:26, 10 August 2016 (UTC)
They look great! Thanks. DMacks (talk) 07:14, 16 August 2016 (UTC)

File source is not properly indicated: File:2,2,2-trichloroethanol-3D-vdW.png[edit]

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File source is not properly indicated: File:2-chloroethanol-3D-vdW.png[edit]

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File source is not properly indicated: File:2-mercaptoethanol-3D-vdW.png[edit]

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Another fun bonding: PhLi[edit]

Our Category:Phenyllithium polymeric/crystal diagrams have an infinite ladder, where each ipso is sigma bonded to the previous and next Li as well as the Li forming the rung. But the cited ref says that it's more like discrete [PhLi]2 dimers, only to "two rungs" of the ladder, with the Li then bonded to a larger portion of the pi face of the further Ph groups. That is, not just to ipso along the ladder rail, but also ortho (I took a try at File:Phenyllithium chain from xtal eta3.png) and possibly a long interaction with meta and para as well. Just for kicks I decided to learn to use Mercury (free version) to see if I could do it myself, but am not sure how to specifically change the color or thickness of these C–Li bonds for the non-sigma-like interaction. Any ideas how to do that? As a fallback, I managed to bond to the centroid of each such ring rather than to any of the C in it, but figured I'd keep using this as a learning example and ask your experience:) DMacks (talk) 02:59, 5 September 2016 (UTC)

Hi DMacks, thanks for looking into this structure. I've managed to get Mercury to do what we want, so I've updated the original image accordingly. To get it to work, I right-clicked on every bond I wanted removed and selected 'hide'. I then added 'contacts', in this case between C and Li, between 2.3 and 2.9 Å, intramolecular (> 0 bonds). Hope this info is helpful for future images - let me know if anything is unclear. Cheers, Ben (talk) 08:52, 5 September 2016 (UTC)
Looks great. And I managed to reproduce that method. Thanks! DMacks (talk) 02:39, 6 September 2016 (UTC)

Category:Thioic_acids[edit]

DMacks (talk) 19:37, 19 September 2016 (UTC)

Image request[edit]

Hi! I've seen that you created File:Cotunnite-3D-balls.png. Could you please recolor atoms to replace the chlorine color with that of barium? According to Russian Wiki (and they put three refs next to the sentence saying this), Ba2Pb shares its crystalline structure with PbCl2.--R8R Gtrs (talk) 18:14, 29 October 2016 (UTC)

File:Bifluoride-elpot-3D-vdW.png doesn't look symmetric[edit]

The right fluorine looks smaller than the left one. Is the molecule in this diagram rotated so that the right one is actually further away (one smaller due to perspective, not due to chemical fact)? Or are the two F not equivalent (one smaller because it really does have a reduced vdW radius)? DMacks (talk) 23:06, 27 November 2016 (UTC)

Hi DMacks, sorry for the slow reply. Yeah, this is just a slightly rotated molecule. --Ben (talk) 19:01, 22 March 2017 (UTC)

Your link at the VX structures is dead[edit]

I added this source to those images:

Feel free to replace with a better one, in particular the one you used to verify/corroborate and OR you did. Meanwhile, this can go into the article using the image. Hope all is well in your career. Have left my Prof position, nor in private sector. Cheers, Le Prof Leprof 7272 (talk) 15:54, 22 March 2017 (UTC)

Thanks Le Prof. I'll keep the dead link just in case it is later possible to find the original source. Thanks also for the new reference. --Ben (talk) 19:04, 22 March 2017 (UTC)

picture of polymeric SO3?[edit]

Hello, I highly appreciate your pictures of molecular and crystal structures on Wikipedia. I would find it very useful if you could insert a picture of the polymeric form of SO3 (so-called "alpha" form, which is apparently the most stable form. Thank you!

--Signo (talk) 10:27, 20 April 2017 (UTC)

File:Potassium-superoxide-unit-cell-3D-ionic.png[edit]

Hi, I highly appreciate too your molecular pictures and I have a question about this file. Could you give me the reference which allowed you to build it? In fact, I seach for the space group of potassium superoxide crystals. Thank you in advance! --Titou (talk) 13:59, 22 May 2017 (UTC)

Hi Titou, thanks very much! The paper I used to build the model was http://scripts.iucr.org/cgi-bin/paper?a01469 (I think). The space group was chosen as F4/mmm by Kasatochkin and Kotov in 1937, although I'm unsure if modern conventions change that. There are apparently also several other possible polymorphs, according to http://www.e-periodica.ch/digbib/view?pid=hpa-001:1976:49::63#63. Good luck. Ben (talk) 17:02, 22 May 2017 (UTC)