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Effects of Intramolecular Hydrogen Bonding on the Ionization Energies of Proline
Author(s) -
Tian Shan Xi,
Yang Jinlong
Publication year - 2006
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.200504039
Subject(s) - intramolecular force , hydrogen bond , ionization , conformational isomerism , photoemission spectroscopy , ab initio , chemistry , computational chemistry , ionization energy , hydrogen , proline , ab initio quantum chemistry methods , chemical physics , x ray photoelectron spectroscopy , molecule , crystallography , physics , stereochemistry , organic chemistry , nuclear magnetic resonance , amino acid , biochemistry , ion
Ab initio studies show the influence of intramolecular hydrogen bonding on the ionization energies of proline conformers (see picture). These results were used to assign the UV photoelectron spectrum.