Experimental and Theoretical Study of Monosubstituted Guanidines by Vibrational Spectroscopy: Part 1. - Structure of Cyanoguanidine Научная публикация
Журнал |
Journal of the Chemical Society - Faraday Transactions (1990-1998, in 1999 become Physical Chemistry Chemical Physics)
ISSN: 0956-5000 |
||||||
---|---|---|---|---|---|---|---|
Вых. Данные | Год: 1997, Том: 93, Номер: 7, Страницы: 1357-1360 Страниц : 4 DOI: 10.1039/a605916c | ||||||
Ключевые слова | EXCHANGE | ||||||
Авторы |
|
||||||
Организации |
|
Информация о финансировании (2)
1 | International Science Foundation | RAD000 |
2 | International Science Foundation | RAD300 |
Реферат:
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.
Библиографическая ссылка:
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
Даты:
Поступила в редакцию: | 28 авг. 1996 г. |
Опубликована в печати: | 7 апр. 1997 г. |
Идентификаторы БД:
Web of science | WOS:A1997WT33000015 |
Scopus | 2-s2.0-33748586255 |
РИНЦ | 13272642 |
Chemical Abstracts | 1997:275461 |
Chemical Abstracts (print) | 126:330363 |
OpenAlex | W2094265215 |