共 39 条
Quantum energy flow during molecular isomerization
被引:87
作者:

Leitner, DM
论文数: 0 引用数: 0
h-index: 0
机构:
Univ Illinois, Dept Chem, Urbana, IL 61801 USA Univ Illinois, Dept Chem, Urbana, IL 61801 USA

Wolynes, PG
论文数: 0 引用数: 0
h-index: 0
机构:
Univ Illinois, Dept Chem, Urbana, IL 61801 USA Univ Illinois, Dept Chem, Urbana, IL 61801 USA
机构:
[1] Univ Illinois, Dept Chem, Urbana, IL 61801 USA
关键词:
D O I:
10.1016/S0009-2614(97)01120-2
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:
Intramolecular energy flow greatly influences molecular isomerizations, particularly when the energy barrier to reaction is low, as in catalytic and biochemical reactions. We discuss here a simple quantum mechanical theory that describes the extent and rate of vibrational energy flow in molecules, and apply it for the first time to predict rates of isomerization. We consider trans-cis photoisomerization of stilbene, which has been extensively studied experimentally. Vibrational flow in stilbene plays a crucial role in moderating isomerization; the rate both in supersonic jets and low pressure gases is well described by the theory treating quantum flow. (C) 1997 Elsevier Science B.V.
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页码:411 / 418
页数:8
相关论文
共 39 条
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CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91125 CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91125

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CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91125 CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91125

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Nordholm, S
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CHALMERS UNIV TECHNOL,S-41296 GOTHENBURG,SWEDEN CHALMERS UNIV TECHNOL,S-41296 GOTHENBURG,SWEDEN
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CHALMERS UNIV TECHNOL, S-41296 GOTHENBURG, SWEDEN CHALMERS UNIV TECHNOL, S-41296 GOTHENBURG, SWEDEN

Nordholm, S
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CHALMERS UNIV TECHNOL, S-41296 GOTHENBURG, SWEDEN CHALMERS UNIV TECHNOL, S-41296 GOTHENBURG, SWEDEN
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Nordholm, S
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LEVY, DH
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机构: UNIV CHICAGO,DEPT CHEM,CHICAGO,IL 60637

FLEMING, GR
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机构: UNIV CHICAGO,DEPT CHEM,CHICAGO,IL 60637
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FLEMING, GR
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ZEWAIL, AH
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h-index: 0
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