Xuming Zheng, D. Phillips
Jan 4, 1999
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0
Influential Citations
9
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Journal
Journal of Chemical Physics
Abstract
We have obtained resonance Raman spectra and absolute Raman cross section measurements at five excitation wavelengths within the A-band absorption for 1-bromo-2-iodoethane in cyclohexane solution. The resonance Raman spectra have most of their intensity in the fundamentals, overtones, and combination bands of six Franck–Condon active vibrational modes; the nominal CCI bend, C–I stretch, C–Br stretch, C–C stretch, CH2 wag with the Br atom attached to the CH2 group, and CH2 wag with the I atom attached to the CH2 group. The resonance Raman intensities and A-band absorption spectrum were simulated using a simple model and time-dependent wave packet calculations. The simulation results and normal mode descriptions were used to find the short-time photodissociation dynamics in terms of internal coordinate displacements. The A-band short-time photodissociation dynamics for trans-1-bromo-2-iodoethane show that the C–I, C–Br, and C–C bonds as well as the CCI, CCBr, HCC, ICH, and BrCH angles have significant chang...