Stochastic Simulation of Chemical Exchange in Two Dimensional Infrared Spectroscopy

Details Stochastic Simulation of Chemical Exchange in Two Dimensional Infrared Spectroscopy Stochastic Simulation of Chemical Exchange in Two Dimensional Infrared Spectroscopy

2006-03-24

arxiv.org/abs/physics/0603212v1

J. Chem. Phys.125 (2006) 014507

Physics

Chemical Physics

30 pages 8 figures

Scientific paper

10.1063/1.2205367

The stochastic Liouville equations are employed to investigate the combined signatures of chemical exchange (two-state-jump) and spectral diffusion (coupling to an overdamped Brownian oscillator) in the coherent response of an anharmonic vibration to three femtosecond infrared pulses. Simulations reproduce the main features recently observed in the OD stretch of phenol in benzene.

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