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Why doesn't MoleculePlot show AgNO3 ?

Anonymous User
Anonymous User
Posted 8 years ago

(* IUPAC name: silver nitrate. Mathematica shows the 2d (iupac style) diagram but not 3D *)

In[3]:= ChemicalData["AgNO3", "MoleculePlot"]

Out[3]= Missing["NotAvailable"]

ChemicalData["HNO3", "MoleculePlot"] (* WORKS *)

(* is it just not in (small) database, database didn't download correctly, are metal to oxy-polyatomic ion not in data base? In other words is there something like "only organic chemistry is supported" limitation i'm not made aware of yet? *)
POSTED BY: Anonymous User
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@John Hendrickson the reason there isn't a 3D plot for silver nitrate is that there are no 3D coordinates. You can check this via

In[99]:= ChemicalData["AgNO3", "AtomPositions"]

Out[99]= Missing["NotApplicable"]

One of the sources we use for ChemicalData is PubChem, which has 3D structures for millions of compounds - but not for silver nitrate, because it is a salt. The "MoleculePlot" property really is best suited for connected structures.

Regarding "NO3" - ChemicalData doesn't actually have any ions, only neutral molecules, and so "nitrate" isn't to be found.

Hope that helps
POSTED BY: Jason Biggs
Anonymous User
Anonymous User
Posted 8 years ago
POSTED BY: Anonymous User

To "plot" AgNO3 you have to plot a crystal-lattice with Ag+ cations and NO3- Anions. There is not such a thing like a "molecular plot". As Jason said: it is a salt !
POSTED BY: Hans Dolhaine
Anonymous User
Anonymous User
Posted 8 years ago

I also get (is it just me?) ChemicalData["NO3"] is "not defined" but NO2 is defined. (both are common as pie in my chem 101 book)

I'm wondering how one would (best) use a system having simple things not yet complete? Is one supposed to "alter the .m or paclet" to include such minors mathematica doesn't have? Or is my MM install not working? (i might be asking this to bump the post). Are some people getting paclets that don't have this missing data?

11.3's chemistry certainly far superior to previous versions, of course.
POSTED BY: Anonymous User
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