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CH stretching vibrations of pyrazole and of its deuterated species. Anharmonicity of modes and molecular pseudo‐symmetry
Author(s) -
Tabacik Vlado,
Sportouch Serge
Publication year - 1978
Publication title -
journal of raman spectroscopy
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.748
H-Index - 110
eISSN - 1097-4555
pISSN - 0377-0486
DOI - 10.1002/jrs.1250070202
Subject(s) - anharmonicity , deuterium , chemistry , raman spectroscopy , infrared , molecule , infrared spectroscopy , isotropy , pyrazole , atom (system on chip) , symmetry (geometry) , molecular physics , intensity (physics) , crystallography , atomic physics , stereochemistry , physics , optics , condensed matter physics , geometry , organic chemistry , mathematics , computer science , embedded system
The three ν(CH or CD) fundamentals of pyrazole‐D 0 (1a) of its deuterated NH species, −4‐D 1 (2a), −3,5‐D 2 (3a), −3,4,5‐D 3 (4a), and ND species, −1‐D 1 (1b), −1,4‐D 2 (2b), −1,3,5‐D 3 (3b), ‐D 4 (4b), were obtained by Raman spectroscopy. Each a, b couple (i.e. 1a, 1b, etc.) gives identical ν(CH or CD) bands. One band originates essentially in the stretching of the atom (H or D) in position 4. Two other bands originate essentially in the stretching movements of the atoms in positions 3 and 5. The relation of infrared to Raman intensity, the relative intensity of bands in infrared, the relative position of bands, the application of isotropic rules and the determination of mode anharmonicity constants provide a C 2ν ‐like image of these C s ‐symmetrical molecules.