Non-Gaussian statistics of amide I mode frequency fluctuation of N-methylacetamide in methanol solution: Linear and nonlinear vibrational spectra

Recently, as a novel tool for structure determination of polypeptides, a variety of two-dimensional (2D) vibrational spectroscopies were experimentally used and theoretically proposed. Among such applications of multidimensional coherent vibrational spectroscopies to various problems, it was shown that the 2D IR pump-probe spectroscopy can be used to directly probe solvation dynamics of amides. This paper presents molecular dynamics simulation results on linear and nonlinear vibrational spectroscopies of the NMA-methanol solution.