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Simulations of two‐dimensional femtosecond infrared photon echoes of glycine dipeptide
Author(s) -
Piryatinski Andrei,
Tretiak Sergei,
Chernyak Vladimir,
Mukamel Shaul
Publication year - 2000
Publication title -
journal of raman spectroscopy
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.748
H-Index - 110
eISSN - 1097-4555
pISSN - 0377-0486
DOI - 10.1002/(sici)1097-4555(200001/02)31:1/2<125::aid-jrs503>3.0.co;2-o
Subject(s) - exciton , dipeptide , chemistry , molecular physics , femtosecond , anharmonicity , diagonal , raman spectroscopy , infrared , phase (matter) , signal (programming language) , nuclear magnetic resonance , physics , optics , condensed matter physics , peptide , laser , mathematics , geometry , organic chemistry , computer science , programming language
The multidimensional optical response of the amide I band of glycine dipeptide is calculated using a vibrational–exciton model, treating each peptide bond as a localized anharmonic vibration. The 2D photon echo signal is obtained by solving the non‐linear exciton equations. Comparison of different models of spectral broadening (homogeneous and diagonal and off‐diagonal static disorder) shows completely different 2D signals even when the 1D infrared spectra are very similar. The phase of the 2D signal may be used to distinguish between overtone and collective types of two‐exciton states. Vanishing of the 2D signal along certain directions can be attributed to the variation of the phase. Copyright © 2000 John Wiley & Sons, Ltd.