Stochastic simulation of chemical exchange in two dimensional infrared spectroscopy.
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.
Sanda
Frantisek
F
Department of Chemistry, University of California, Irvine, California 92697-2025, USA. sanda@karlov.mff.cuni.cz
Mukamel
Shaul
S
D000465:Algorithms; D001554:Benzene / Q000737:chemistry*; D007700:Kinetics; D008956:Models, Chemical; D008958:Models, Molecular; D015233:Models, Statistical; D019800:Phenol / Q000737:chemistry*; D013055:Spectrophotometry, Infrared / Q000379:methods*; D013269:Stochastic Processes
D019800:Phenol; D001554:Benzene