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Titolo:
Strong acceleration of chemical reactions occurring through the effects ofrotational excitation on collision geometry
Autore:
Miklavc, A;
Indirizzi:
Natl Inst Chem, Ljubljana 1000, Slovenia Natl Inst Chem Ljubljana Slovenia 1000 st Chem, Ljubljana 1000, Slovenia
Titolo Testata:
CHEMPHYSCHEM
fascicolo: 8-9, volume: 2, anno: 2001,
pagine: 552 -
SICI:
1439-4235(20010817)2:8-9<552:SAOCRO>2.0.ZU;2-U
Fonte:
ISI
Lingua:
ENG
Soggetto:
ACTIVATED BIMOLECULAR REACTIONS; SEMI-CLASSICAL THEORY; KINEMATIC MASS MODEL; REAGENT ROTATION; MICROWAVE IRRADIATION; CHEMISTRY; ENHANCEMENT; TRANSITIONS;
Keywords:
computer; chemistry; microwave; chemistry; molecular dynamics; reaction mechanisms; rotational effects;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Physical, Chemical & Earth Sciences
Citazioni:
28
Recensione:
Indirizzi per estratti:
Indirizzo: Miklavc, A Natl Inst Chem, Hajdrihova 19,POB 660, Ljubljana 1000, SloveniaNatl Inst Chem Hajdrihova 19,POB 660 Ljubljana Slovenia 1000 a
Citazione:
A. Miklavc, "Strong acceleration of chemical reactions occurring through the effects ofrotational excitation on collision geometry", CHEMPHYSCHE, 2(8-9), 2001, pp. 552

Abstract

Accelerating chemical reactions by rotational excitation increases both the energy available for barrier crossing and also changes the distribution of collisions with the barrier, as demonstrated herein on the gas-phase reactions O+HCl(DCl)--> OH(OD)+Cl. In the picture, the dependence of the barrier energy E-b on the Jacobi angle y is given, together with the distributionof collisions with the barrier at j=0 (square) and 16 (del). Such a mechanism should arise from large-amplitude oscillatory motions of molecules or reacting atomic groups. It should, thus occur also in condensed phases and it should lead to nonenergetic (nonthermal) acceleration of chemical reactions by microwaves.

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Documento generato il 01/04/20 alle ore 11:27:21