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Comparison of different optical processes of the two-dimensional infrared spectroscopy in the effect of intermolecular vibrational coupling calculated in the time domain: The case of liquid N,N-Dimethylformamide
- Source :
- Vibrational Spectroscopy. 42:140-146
- Publication Year :
- 2006
- Publisher :
- Elsevier BV, 2006.
-
Abstract
- A time–domain method for calculating two-dimensional infrared (2D-IR) spectra is developed and is applied to the case of the amide I band of liquid N , N -dimethylformamide. This method includes the effects of both the diagonal frequency modulations (of individual molecules in the system) and the off-diagonal (intermolecular) vibrational coupling. The effect of the off-diagonal vibrational coupling on the 2D-IR band profiles is examined. The band profiles for three types of 2D-IR optical processes are compared and discussed in relation to this effect.
Details
- ISSN :
- 09242031
- Volume :
- 42
- Database :
- OpenAIRE
- Journal :
- Vibrational Spectroscopy
- Accession number :
- edsair.doi...........c439af10efdfda9e9f8d1ffc8447ee4f