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Electron distribution in the molecule of nitrones
Author(s) -
Exner Otto
Publication year - 1990
Publication title -
journal of physical organic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.325
H-Index - 66
eISSN - 1099-1395
pISSN - 0894-3230
DOI - 10.1002/poc.610030308
Subject(s) - chemistry , hypervalent molecule , dipole , computational chemistry , molecule , bond dipole moment , valence electron , double bond , electron , moment (physics) , valence (chemistry) , character (mathematics) , crystallography , chemical physics , transition dipole moment , organic chemistry , quantum mechanics , physics , geometry , mathematics , reagent
Vector analysis of dipole moments of two series of nitrones revealed a mesomeric dipole moment compatible with a relatively great contribution of a zwitterionic structure and possible some contribution from a hypervalent structure. The latter was also suggested from a detailed comparison of bond lengths among several classes of compounds, involving the CNO grouping. Since both the CN and NO bonds seem to possess an appreciable double bond character, it is suggested that the N atom might be allocated more then eight valence electrons.