Two-dimensional stimulated ultraviolet resonance Raman spectra of tyrosine and tryptophan: a simulation study

We report an ab initio simulation study of the ultrafast broad bandwidth ultraviolet stimulated resonance Raman spectra (SRRS) of l-tyrosine, l-tryptophan, and trans-l-tryptophan-l-tyrosine (WY) dipeptide. Two-pulse one-dimensional SRRS and three-pulse two-dimensional SRRS that reveal inter-residue and intra-residue vibrational correlations are simulated using electronically resonant or pre-resonant pulse configurations that select the Raman signal and discriminate against excited state pathways. Multimode effects are incorporated via the cumulant expansion. The two-dimensional SRRS technique is more sensitive to residue couplings than spontaneous Raman. Copyright (c) 2013 John Wiley & Sons, Ltd.