Iodine effect on the relaxation pathway of photoexcited I-(H2O)n clusters

被引：44

作者：

Chen, HY ^{[1
]}

Sheu, WS ^{[1
]}

机构：

[1] Fu Jen Catholic Univ, Dept Chem, Taipei 242, Taiwan

来源：

CHEMICAL PHYSICS LETTERS | 2001年 / 335卷 / 5-6期

关键词：

D O I：

10.1016/S0009-2614(00)01462-7

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：

The iodine effect on the photoexcited I-(H2O)(n) relaxation pathway is studied using ab initio calculations. Critical behavior of the vertical binding energy (VBE) of the excited I-(H2O)(n) is seen at short distances between the iodine and the remaining (H2O)(n), which is correlated to the rapid experimental VEE increase within 1 ps (L. Lehr, M.T. Zanni, C. Frischkorn, R. Weinkauf, D.M, Neumark, Science 284 (1999) 635). Further comparisons of computed results with experimental data reveal that iodine detachment is a crucial step in the cluster relaxation dynamics, intrinsically different from the electron-detachment pathway of photoexcited aqueous iodide. (C) 2001 Elsevier Science B.V. All rights reserved.

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收藏

页码：475 / 480

页数：6

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