LATTICE MODES IN 1,3,5-TRICHLOROBENZENE.

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1969

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Ohio State University

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1,3,5-Trichlorobenzene crystallizes in space group P212121(D24) with four molecules per unit cell. The twelve librational modes are divided evenly among the four irreducible representations of factor group D2, and are joined by the nine optical translatory vibrations which are distributed 3A+2B1+2B2+2B2+2B3. These lattice modes are all Raman active and occur below 100cm−1, permitting partial identification by single crystal laser Raman polarization data. The assignments are assisted by comparison with corresponding data secured for the isomorphic crystal 1,3,5-tribromobenzene. The temperature dependence of the optical modes is reported, and the relation to the chlorine nuclear quadrupole resonance spectrum of 1,3,5-trichlorobenzene is discussed.

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Author Institution: Department of Chemistry, University of Massachusetts

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