Solvation of the 2,5-lutidyl radical in small van der Waals clusters

被引：3

作者：

Bray, JA ^{[1
]}

Bernstein, ER ^{[1
]}

机构：

[1] Colorado State Univ, Dept Chem, Ft Collins, CO 80523 USA

来源：

JOURNAL OF PHYSICAL CHEMISTRY A | 1999年 / 103卷 / 14期

关键词：

D O I：

10.1021/jp983458k

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 one-to-one clusters of the 2,5-lutidyl radical [2-CH3,5-(CH2)C5H3N] with Ar, N-2, CH4, CF4, C2H6, C3H8, C4H10, and C2H4 are studied by fluorescence excitation spectroscopy, mass resolved excitation spectroscopy, and ab initio and semiempirical calculational techniques. Cluster binding energies for the ground (D-0) and excited (D-1) states, cluster spectroscopic shifts, and van der Waals cluster vibrational modes are reported for these systems. The agreement between the observed and calculated cluster properties is quite good. Unlike the benzyl radical, the 2,5-lutidyl radical does not react with ethylene in its D-1 excited electronic state.

引用

页码：2214 / 2219

页数：6

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