Ultrafast vibrational coupling between C H and C O band of cyclic amide 2-Pyrrolidinone revealed by 2DIR spectroscopy

Author(s):  
Kiran Sankar Maiti
2015 ◽  
Vol 17 (38) ◽  
pp. 24998-25003 ◽  
Author(s):  
Kiran Sankar Maiti

In the past one-and-a-half decade there has been a significant methodological and technological development of two dimensional infrared (2DIR) spectroscopy, which unfolds many underlying physical and chemical processes of complex molecules, especially for biological molecules.


1983 ◽  
Vol 48 (2) ◽  
pp. 586-595 ◽  
Author(s):  
Alexander Perjéssy ◽  
Pavol Hrnčiar ◽  
Ján Šraga

The wave numbers of the fundamental C=O and C=C stretching vibrations, as well as that of the first overtone of C=O stretching vibration of 2-(3-, and 4-substituted phenylmethylene)-1,3-cycloheptanediones and 1,3-cycloheptanedione were measured in tetrachloromethane and chloroform. The spectral data were correlated with σ+ constants of substituents attached to phenyl group and with wave number shifts of the C=O stretching vibration of substituted acetophenones. The slope of the linear dependence ν vs ν+ of the C=C stretching vibration of the ethylenic group was found to be more than two times higher than that of the analogous correlation of the C=O stretching vibration. Positive values of anharmonicity for asymmetric C=O stretching vibration can be considered as an evidence of the vibrational coupling in a cyclic 1,3-dicarbonyl system similarly, as with derivatives of 1,3-indanedione. The relationship between the wave numbers of the symmetric and asymmetric C=O stretching vibrations indicates that the effect of structure upon both vibrations is symmetric. The vibrational coupling in 1,3-cycloheptanediones and the application of Seth-Paul-Van-Duyse equation is discussed in relation to analogous results obtained for other cyclic 1,3-dicarbonyl compounds.


1992 ◽  
Vol 88 (12) ◽  
pp. 1631 ◽  
Author(s):  
Upali A. Jayasooriya ◽  
Sidney F. A. Kettle ◽  
Richard Mortimer ◽  
Juergen Eckert ◽  
Nancy K. McGuire
Keyword(s):  

2015 ◽  
Vol 17 (38) ◽  
pp. 25505-25515 ◽  
Author(s):  
Yudai Ogata ◽  
Yukio Kawashima ◽  
Kaito Takahashi ◽  
Masanori Tachikawa

Quantum distribution of OH−(H2O)2 and the vibrational spectra computed using these geometries.


2021 ◽  
Vol 187 ◽  
pp. 109140
Author(s):  
Luis O. de Araujo ◽  
Alfredo L. Neto ◽  
Lucas Scalon ◽  
Paula C. Rodrigues ◽  
João B. Floriano ◽  
...  

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