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Quantum mechanical calculations on vibronic activity in the MCD spectra of carbonyl compounds
Author(s) -
Marconi Giancarlo
Publication year - 1989
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560360322
Subject(s) - chemistry , symmetry (geometry) , spectral line , quantum , absorption spectroscopy , vibronic spectroscopy , computational chemistry , quantum chemical , vibration , absorption band , series (stratigraphy) , molecular physics , quantum mechanics , physics , molecule , organic chemistry , mathematics , geometry , paleontology , biology
The magnetooptical properties ( B terms) vibronically induced have been calculated for a series of carbonyl compounds in the region of the first absorption band. The rules deduced experimentally for the signs and sizes of the B terms induced by vibrations of different symmetry are generally confirmed by these calculations.