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Author: Subject: NMR database?
omario4
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[*] posted on 20-2-2011 at 14:16
NMR database?


are there nmr databases of complexes? I'm trying to find literature spectra for some transition metal complexes I synthesized in my inorganic lab. I'm getting nothing in google for nmr spec of each complex :(. Acetylacetonate are the only ligands attached to them btw.

What i'm thinking however is. can I simply search up the nmr spec of acetylacetonate and use that as a literature spectra? Then compare them since the metal ions don't appear except when they shift/split the peaks.
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vulture
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[*] posted on 20-2-2011 at 14:31


If you have access to scifinder, that's the easiest way to go. Wiley also offers a NMR database. If the product is commercially available, sigma aldrich sometimes supplies spectra for its products.

You can also try http://riodb01.ibase.aist.go.jp/sdbs/cgi-bin/cre_index.cgi?l... but do mind that you will need the CAS number, because they have a peculiar way of naming their compounds.

Why do you want the spectra? To assign the peaks of your own spectrum?




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omario4
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[*] posted on 20-2-2011 at 16:39


we want to compare our nmr spectra to literature findings. I did register for scifinder but they still haven't sent my email link for the registration :(

I've used that link before and it doesn't have the spectra for the complexes I have. Tris(acetyylacetonato)Cr(III), Fe(III) Mn(III) Co(III) and Bis(acetylacetonato) oxovanadium.

Thanks for your help anyways though.

[Edited on 21-2-2011 by omario4]
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Nicodem
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[*] posted on 21-2-2011 at 06:55


Those acetylacetonates have paramagnetic metals, so you can't really get anything useful from their NMR spectra. Therefore, I doubt you will get their 1H NMR published anywhere as it probably looks too ugly to bother. If you need to characterize them as products, then try with usual methods for such compounds (IR, elemental analysis, DSC, etc., even MS can often be used).
Just out of curiosity, can you post the spectra you obtained from your samples? At least the 1H NMR? It would be interesting to see what has become of the peaks.
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