RAMAN PHONON-SPECTRA AND LATTICE-DYNAMICS OF 7-METHOXYCOUMARIN UNDER PRESSURE

被引:1
作者
BRILLANTE, A
DELLAVALLE, RG
VENUTI, E
机构
[1] Dipartimento di Chimica Fisica e Inorganica, Università di Bologna, 40136 Bologna
关键词
D O I
10.1016/0009-2614(95)01148-1
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Raman phonon spectra of 7-methoxycoumarin in the lattice phonon region have been measured in the range 0-5 GPa. A model atom-atom Buckingham potential has been determined to calculate structural parameters and Raman-active lattice phonons at ambient conditions and under pressure up to 14 GPa. The agreement with experiment is satisfactory. Results are discussed with reference to the mechanism of the non-topochemical photodimerization which is confirmed to occur via defect sites of the crystal rather than as a phonon-assisted process.
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页码:619 / 625
页数:7
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