Assignment of the lattice modes in TCNQ single crystals | Zendy

Kenneth M. White | Zendy; Karl-Heinz Brose | Zendy; C. J. Eckhardt | Zendy

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Assignment of the lattice modes in TCNQ single crystals

Author(s) -

Kenneth M. White,

Karl-Heinz Brose,

C. J. Eckhardt

Publication year - 1986

Publication title -

the journal of chemical physics

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.071

H-Index - 357

eISSN - 1089-7690

pISSN - 0021-9606

DOI - 10.1063/1.451569

Subject(s) - raman spectroscopy , lattice (music) , crystal (programming language) , crystal structure , condensed matter physics , lattice vibration , spectral line , molecular physics , normal mode , optics , materials science , crystallography , physics , phonon , chemistry , quantum mechanics , vibration , computer science , acoustics , programming language

A complete assignment of the six librational modes of the TCNQ0 crystal has been made employing both polarized Raman spectroscopic measurements and lattice dynamical calculations. Agreement between theory and experiment is good and modes at 40.5, 74.5, and 96 cm−1 are assigned as Ag active and those at 63, 75.5, and 104 cm−1 are Bg active. The lattice modes are found to be clearly separated from the molecular modes. The study emphasizes the importance of crystal optics and quality in the measurement of the polarized Raman spectra of biaxial crystals.

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