Pandey, Prasenjit ; Samanta, Amit K. ; Bandyopadhyay, Biman ; Chakraborty, Tapas (2011) Infrared spectroscopy of 2-pyrrolidinone and its hydrogen bonded dimers in a cold (8K) inert gas matrix Vibrational Spectroscopy, 55 (1). pp. 126-131. ISSN 0924-2031
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Official URL: http://www.sciencedirect.com/science/article/pii/S...
Related URL: http://dx.doi.org/10.1016/j.vibspec.2010.09.013
Abstract
Matrix isolation–FTIR spectra of 2-pyrrolidinone monomer and its two hydrogen bonded dimers are recorded in N2 matrix at 8 K temperature and in CCl4 solution at variable temperature within the range 30–45 °C. The transient singly hydrogen bonded dimer (SHBD) is identified in the cold N2 by comparing the matrix spectrum with that in CCl4 solution. The spectral shifts of both amide-I and amide-A bands indicate cooperative strengthening of hydrogen bonds in doubly hydrogen bonded dimer (DHBD). Density functional theory at B3PW91/6-311++G** level of calculation is found to be in good accord to the observed spectral features.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to Elsevier Science. |
| Keywords: | Matrix Isolation; FTIR; 2-Pyrrolidinone; Transient; Amide-I; Amide-A |
| ID Code: | 100344 |
| Deposited On: | 07 Dec 2016 11:56 |
| Last Modified: | 07 Dec 2016 11:56 |
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