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Harmoniques des vibrations de valence CH dans les alcanes et les halogénures de t ‐butyle
Author(s) -
Avanessoff M.,
Gäumann T.
Publication year - 1971
Publication title -
helvetica chimica acta
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.74
H-Index - 82
eISSN - 1522-2675
pISSN - 0018-019X
DOI - 10.1002/hlca.19710540511
Subject(s) - anharmonicity , chemistry , diatomic molecule , harmonics , methylene , bond dissociation energy , valence (chemistry) , atomic physics , dissociation (chemistry) , physics , molecule , quantum mechanics , medicinal chemistry , organic chemistry , voltage
The first and second harmonic CH and CD valence vibrations of alkanes and t ‐butyl halides have been measured. A model is proposed for the methyl and methylene groups, which allows the calculation of the anharmonicity constants of every vibrational mode and of the couplings between the modes. The already known large values (−100 to −150 cm −1 ) for the anharmonicity constants that couple the symmetrical with the asymmetrical modes are confirmed. As compared with lower harmonics combination bands become predominant for the higher ones; they allow the application of a diatomic model to estimate higher harmonics and the energy of dissociation.