Mixtures of Trihalide Anions in Isostructural BEDT-TTF Salts as Seen by Raman Spectroscopy
作者： R. Wojciechowski , J. Ulanski , M. Kryszewski , E. Laukhina , V. Tkacheva
DOI: 10.1080/10587250108023670
关键词: Ab initio quantum chemistry methods 、 Ab initio 、 Polyatomic ion 、 Crystallography 、 Tetrathiafulvalene 、 Raman spectroscopy 、 Crystal chemistry 、 Inorganic chemistry 、 Trihalide 、 Chemistry 、 Isostructural
摘要: Abstract Low frequency Raman spectra have been recorded at room temperature for β-type structure of the (BEDT-TTF)2X single crystals (where BEDT-TTF is bis(ethylenedithio) tetrathiafulvalene and X stands mono or mixed trihalide anions). This technique has permitted us to detect a presence (Br-I-Cl)−, (I-I-Cl)− (Cl-I-Cl)− anions in addition mixture (I-I-I)−, (I-I-Br)− (Br-I-Br)− some recently grown crystals. The observed low-frequency bands were compared with ab initio calculated vibrational frequencies very good agreement between experimental data was found.
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