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Raman spectra and normal vibrations of dipeptides. I. Glycylglycine
Author(s) -
Lagant P.,
Vergoten G.,
LoucheuxLefebvre M. H.,
Fleury G.
Publication year - 1983
Publication title -
biopolymers
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.556
H-Index - 125
eISSN - 1097-0282
pISSN - 0006-3525
DOI - 10.1002/bip.360220503
Subject(s) - chemistry , glycylglycine , intramolecular force , intermolecular force , raman spectroscopy , hydrogen bond , deuterium , dipole , crystallography , carboxylate , hydrogen atom , computational chemistry , stereochemistry , group (periodic table) , molecule , atomic physics , organic chemistry , amino acid , glycine , biochemistry , physics , optics
Abstract We studied the Raman spectra of the zwitterionic glycylglycine crystal (GG) and its N‐deuterated analog. A normal coordinate analysis on its α‐crystalline form was performed and the effects of intra‐and intermolecular couplings are discussed. A modified Urey‐Bradley potential was used as a model of the intramolecular force field. Factor group splittings are described by the use of intermolecular potentials consisting of nonbonded atom‐atom interactions and dipole‐dipole interactions. Effects of hydrogen bonds on the vibrational frequencies of amino and carboxylate groups are also analyzed.