Molecular relaxation processes of 2-bromopropane in solutions from IR ν(C–Br) band shape analysis
| Autor: | I Bratu, R Constantinescu, T. Iliescu, Rodica Grecu |
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| Rok vydání: | 1998 |
| Předmět: |
Chemistry
Polarity (physics) Infrared Dephasing Relaxation (NMR) Analytical chemistry Molecular physics Atomic and Molecular Physics and Optics Analytical Chemistry Molecular dynamics Correlation function Polarizability Vibrational energy relaxation Physics::Chemical Physics Instrumentation Spectroscopy |
| Zdroj: | Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 54:501-506 |
| ISSN: | 1386-1425 |
| Popis: | The infrared (C–Br) stretching band profile of 2-bromopropane in pure liquid and in solution was studied. The frequency shifts, described by the Buckingham equation, account for the influence of the polarity and polarizability of the solvents. To evaluate the importance of the last term in the Buckingham equation, which describes the mutual influence of these two effects, a linear multidimensional regression analysis was done. The correlation factor increased when the cross term was considered. The concentration dependence of the FWHH (full width at half height) can be related to the vibrational relaxation processes, among them vibrational dephasing being the most important. More information about mechanisms responsible for the vibrational bandshape can be obtained from the correlation function Φ( t ). As a result of modelling the experimental CF with Kubo–Rothschild's model, the modulation of the vibrational frequencies is found to be of intermediate type. |
| Databáze: | OpenAIRE |
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