Calculation of anharmonic force constants for the CD 3  group from the Raman spectra of (CD 3 )(CH 3 ) 3 NI | Zendy

Vidal Luis Sastre | Zendy; Bertrán José FernáNdez | Zendy

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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 .

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