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Duschinsky Effect in Sum Frequency Generation from Adsorbed Molecules
Author(s) -
Vallet J. C.,
Boeglin A. J.,
Lavoine J. P.,
Villaeys A. A.
Publication year - 1995
Publication title -
journal of the chinese chemical society
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.329
H-Index - 45
eISSN - 2192-6549
pISSN - 0009-4536
DOI - 10.1002/jccs.199500029
Subject(s) - chemistry , excitation , mixing (physics) , rotation (mathematics) , normal mode , position (finance) , quadratic equation , molecule , spectral line , work (physics) , computational chemistry , molecular physics , atomic physics , nuclear magnetic resonance , vibration , thermodynamics , quantum mechanics , physics , geometry , mathematics , organic chemistry , finance , economics
It is the purpose of this work to give a theoretical description of the role played by the Duschinsky rotation in sum frequency generation experiments performed on adsorbed molecules. In addition to the mode mixing resulting from the Duschinsky rotation, frequency shifts as well as nuclear equilibrium position shifts, occuring under electronic excitation, are incorporated in the present model. The sum frequency generation spectra are calculated in order to compare the effects of the equilibrium position shifts and the quadratic mode mixing.