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Titolo:
QUANTUM ENERGY-FLOW DURING MOLECULAR ISOMERIZATION
Autore:
LEITNER DM; WOLYNES PG;
Indirizzi:
UNIV ILLINOIS,DEPT CHEM,1209 W CALIF ST URBANA IL 61801
Titolo Testata:
Chemical physics letters
fascicolo: 5-6, volume: 280, anno: 1997,
pagine: 411 - 418
SICI:
0009-2614(1997)280:5-6<411:QEDMI>2.0.ZU;2-J
Fonte:
ISI
Lingua:
ENG
Soggetto:
TRANS-STILBENE; UNIMOLECULAR REACTIONS; VIBRATIONAL REDISTRIBUTION; COLLISIONAL SYSTEMS; SOLVATED MOLECULES; RRKM BEHAVIOR; PHOTOISOMERIZATION; DYNAMICS; RATES; SPECTRA;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Science Citation Index Expanded
Citazioni:
39
Recensione:
Indirizzi per estratti:
Citazione:
D.M. Leitner e P.G. Wolynes, "QUANTUM ENERGY-FLOW DURING MOLECULAR ISOMERIZATION", Chemical physics letters, 280(5-6), 1997, pp. 411-418

Abstract

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 energyflow 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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Documento generato il 28/09/20 alle ore 18:39:51