CONTRIBUTION TO THE VIBRATIONAL NORMAL-MODES ANALYSIS OF D(8)-THF BY NEUTRON INELASTIC-SCATTERING

被引：3

作者：

COULOMBEAU, C ^{[1
]}

JOBIC, H ^{[1
]}

机构：

[1] INST RECH CATALYSE, F-69626 VILLEURBANNE, FRANCE

来源：

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM | 1995年 / 330卷

关键词：

D O I：

10.1016/0166-1280(94)03828-9

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：

The Neutron Inelastic Scattering (NIS) spectrum of deuterated tetrahydrofuran d(g)-THF has been recorded between 20 and 2000 cm(-1). The lowest frequency internal vibration is located at 120 +/- 5 cm(-1), in good agreement with the solid state Raman spectrum. The NIS spectrum has been simulated using the results of a Quantum Mechanical calculation (E. Gallinella, B. Cadioli, J.P. Flament and G. Berthier, J. Mol. Struct (Theochem), in press) which also agrees with the experimental frequencies using a scale factor of 0.95.

引用

页码：127 / 130

页数：4

共 7 条

[1] GEOMETRIC STRUCTURE AND VIBRATIONAL-SPECTRUM OF TETRAHYDROFURAN [J].