Experimental and Theoretical Study of Monosubstituted Guanidines by Vibrational Spectroscopy: Part 1. - Structure of Cyanoguanidine Full article
Journal |
Journal of the Chemical Society - Faraday Transactions (1990-1998, in 1999 become Physical Chemistry Chemical Physics)
ISSN: 0956-5000 |
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Output data | Year: 1997, Volume: 93, Number: 7, Pages: 1357-1360 Pages count : 4 DOI: 10.1039/a605916c | ||||||
Tags | EXCHANGE | ||||||
Authors |
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Affiliations |
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Funding (2)
1 | International Science Foundation | RAD000 |
2 | International Science Foundation | RAD300 |
Abstract:
We have recorded and analysed IR absorption and Raman spectra of cyanoguanidine C 2 N 4 H 4 (CG) in different physical states (crystalline, solutions and composition with porous glasses). Co-existence of two different structural CG species: cyanoimine I and cyanoamine II with conjugated and isolated multiple bonds, respectively, is shown. The ratio of structure I to structure II can be varied using a porous glass technique. Density functional calculations (B-LYP/6-31G*) of the optimal structure and vibrational frequencies of CG confirm that cyanoimine and cyanoamine co-exist. We suggest that the X-ray diffraction data showing equivalent C–N and C[double bond, length as m-dash]N bond lengths in the guanidine fragment is a consequence of superposition of both tautomers that are present simultaneously in CG samples.
Cite:
Sheludyakova L.A.
, Sobolev E.V.
, Arbuznikov A.V.
, Burgina E.B.
, Kozhevina L.I.
Experimental and Theoretical Study of Monosubstituted Guanidines by Vibrational Spectroscopy: Part 1. - Structure of Cyanoguanidine
Journal of the Chemical Society - Faraday Transactions (1990-1998, in 1999 become Physical Chemistry Chemical Physics). 1997. V.93. N7. P.1357-1360. DOI: 10.1039/a605916c WOS Scopus РИНЦ
Experimental and Theoretical Study of Monosubstituted Guanidines by Vibrational Spectroscopy: Part 1. - Structure of Cyanoguanidine
Journal of the Chemical Society - Faraday Transactions (1990-1998, in 1999 become Physical Chemistry Chemical Physics). 1997. V.93. N7. P.1357-1360. DOI: 10.1039/a605916c WOS Scopus РИНЦ
Dates:
Submitted: | Aug 28, 1996 |
Published print: | Apr 7, 1997 |
Identifiers:
Web of science | WOS:A1997WT33000015 |
Scopus | 2-s2.0-33748586255 |
Elibrary | 13272642 |
Chemical Abstracts | 1997:275461 |
Chemical Abstracts (print) | 126:330363 |
OpenAlex | W2094265215 |