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Raman Scattering from Tunnelling and Hindered Rotational States of CN − Molecules in KCl
Author(s) -
Durand D.,
Luty F.
Publication year - 1977
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.2220810204
Subject(s) - quantum tunnelling , raman spectroscopy , raman scattering , chemistry , ion , dipole , molecule , atomic physics , molecular physics , scattering , ground state , condensed matter physics , physics , optics , organic chemistry
Abstract The low lying tunnelling and hindered rotational states of dilute (≈ 10 −4 ) systems of substitutional CN − ions in KCl are studied by Raman techniques. The tunnelling splitting of the ground state could be directly observed as a resolved side‐band structure of the CN − stretching vibration. The observed splitting is in quantitative agreement with the previously derived value for the tunnelling splitting, while the appearance of this splitting only in the T 2g scattering geometry confirms definitely the 〈111〉 dipole model. Hindered rotational structure (in the 10 to 30 cm −1 range), which is partially resolved, is detected, both in the low energy and stretching‐side‐band spectrum in E g and T 2g symmetry. The observed Raman data can be fitted to the Raman positions and intensities calculated by Beyeler, using the V 4 + V 6 Devonshire model parameters derived from high resolution IR work.