Premium
Calculation of anharmonic force constants for the CD 3 group from the Raman spectra of (CD 3 )(CH 3 ) 3 NI
Author(s) -
Vidal Luis Sastre,
Bertrán José FernáNdez
Publication year - 1991
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.1250220503
Subject(s) - anharmonicity , raman spectroscopy , force constant , chemistry , spectral line , group (periodic table) , atomic physics , analytical chemistry (journal) , physics , condensed matter physics , molecule , quantum mechanics , organic chemistry , chromatography
The anharmonic force constants for the CD 3 group, W 12 ( k 122 ), W 13 ( k 133 ) and W 23 ( k 2233 ), were calculated by a method in which the only approximation is the neglect of the intrinsic intensities of the unperturbed transitions 2δ s ° and 2δ a °. Using Raman data for (CD 3 )(CH 3 ) 3 NI solutions, the calculated values of the anharmonic forces constants are W 12 = 42.5 cm −1 , W 13 = 21.5 cm −1 and W 23 = 9.4 cm −1 .