A semiclassical trajectory approach to the cleavage reactions of aromatic radical anions

Acta Chimica Sinica ›› 1987, Vol. 45 ›› Issue (4): 334-339. Previous Articles Next Articles

Original Articles

芳族自由基阴离子裂解反应的半径典轨迹法研究

VILLAR,H.O.;CASTRO,E.A.;ROSSI,R.A.

发布日期:1987-04-15

A semiclassical trajectory approach to the cleavage reactions of aromatic radical anions

VILLAR, H.O;CASTRO, E.A.;ROSSI, R.A.

Published:1987-04-15

Abstract

The possible existence of a crossing point between two potential hypersurfaces along the reaction coordinate for the cleavage reactions of aromatic radical anions is studied. The possibly that there is an internal conversion process along this coordinate is shown. The transition probability through the nonadiabatic zone is examined of the Landau-Zerner model, and compared, in a qual. way, with the decomposition rate constants

Key words: ANION, FREE RADICAL REACTION, MOLECULAR ORBITAL THEORY, AROMATIC COMPOUNDS, REACTION RATE CONSTANT, CRACKING REACTION, TRANSITION PROBABILITY, SEMICLASSICAL CALCULATION

CLC Number:

O621.16

Cite this article

VILLAR, H.O;CASTRO, E.A.;ROSSI, R.A.. A semiclassical trajectory approach to the cleavage reactions of aromatic radical anions[J]. Acta Chimica Sinica, 1987, 45(4): 334-339.

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芳族自由基阴离子裂解反应的半径典轨迹法研究

A semiclassical trajectory approach to the cleavage reactions of aromatic radical anions

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