The Transferability of Raman Tensors of Isolated Molecules to Crystals – Application to the Computation of Relative Intensities of the Internal Modes of SO 4  ––  in K 2 SO 4  Crystal | Zendy

Montero S. | Zendy

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The Transferability of Raman Tensors of Isolated Molecules to Crystals – Application to the Computation of Relative Intensities of the Internal Modes of SO 4 –– in K 2 SO 4 Crystal

Author(s) -

Montero S.

Publication year - 1974

Publication title -

physica status solidi (b)

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.51

H-Index - 109

eISSN - 1521-3951

pISSN - 0370-1972

DOI - 10.1002/pssb.2220650111

Subject(s) - raman spectroscopy , transferability , crystal (programming language) , molecule , raman scattering , computation , function (biology) , molecular physics , crystallography , ion , chemistry , materials science , physics , optics , mathematics , organic chemistry , statistics , logit , computer science , programming language , algorithm , evolutionary biology , biology

A general group theoretical method for the construction of the Raman tensors of crystals as a function of the crystallographic data and the Raman tensors of the ‘free’ molecules or ions of the crystal is presented. In a first application of this method, the Raman tensors of all internal modes of K 2 SO 4 were calculated. The relative intensities derived from the computed tensors showed a satisfactory agreement with the measured integrated intensities of the Raman spectra as obtained on oriented K 2 SO 4 crystals.

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