Quantum mechanical calculations on vibronic activity in the MCD spectra of carbonyl compounds | Zendy

Marconi Giancarlo | Zendy

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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.

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