Molecular dynamics and tunnelling in supramolecular complexes

被引：7
|
作者：
Caciuffo, R
Amoretti, G
Carlile, CJ
Ferrero, C
Geremia, S
Paci, B
Prager, M
Ugozzoli, F
机构：
[1] UNIV ANCONA, I-60131 ANCONA, ITALY
[2] UNIV PARMA, INFM, I-43100 PARMA, ITALY
[3] UNIV PARMA, DIPARTIMENTO FIS, I-43100 PARMA, ITALY
[4] RUTHERFORD APPLETON LAB, ISIS, CHILTON OX11 0QX, ENGLAND
[5] EUROPEAN SYNCHROTRON RADIAT FACIL, F-38043 GRENOBLE, FRANCE
[6] FORSCHUNGSZENTRUM JULICH, FORSCHUNGSZENTRUM, IFF, D-52425 JULICH, GERMANY
[7] UNIV PARMA, DIPARTIMENTO CHIM GEN, I-43100 PARMA, ITALY
来源：
PHYSICA B-CONDENSED MATTER | 1997年 / 234卷
关键词：
molecular systems; tunnelling; spectroscopy;
D O I：
10.1016/S0921-4526(96)00901-5
中图分类号：
O469 [凝聚态物理学];
学科分类号：
070205 ;
摘要：
Inelastic neutron scattering has been used to study molecular tunnelling and intramolecular vibrational modes in several inclusion complexes of calixarenes. In methyl-containing guest molecules the free rotor limit is approached, and the splitting of the librational modes appears to be very sensitive to the details of the particle motion. The experimental spectra are interpreted in the framework of different models, and the potential barriers obtained are compared with molecular mechanics calculations.
引用
收藏
页码：115 / 120
页数：6
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