Rotational band contour analysis in REMPI and ZEKE spectroscopy:: elucidating the structures of phenol•X (X=N2, CO and Ar) complexes

被引：49

作者：

Ford, MS ^{[1
]}

Haines, SR ^{[1
]}

Pugliesi, I ^{[1
]}

Dessent, CEH ^{[1
]}

Müller-Dethlefs, K ^{[1
]}

机构：

[1] Univ York, Dept Chem, York YO10 5DD, N Yorkshire, England

来源：

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA | 2000年 / 112卷 / 1-3期

基金：

英国工程与自然科学研究理事会;

关键词：

phenol complexes; REMPI spectra; ZEKE spectra; rotational band contour analysis;

D O I：

10.1016/S0368-2048(00)00216-4

中图分类号：

O433 [光谱学];

学科分类号：

0703 ; 070302 ;

摘要：

Rotational band contour simulation has been applied to analyze partially resolved rovibronic bands in two-color (1+1') REMPI spectra of the phenol.N-2, phenol.CO and phenol.Ar complexes. The rotational simulations are compared with simulations generated using ab initio parameters to elucidate the structures adopted by the complexes. The simulations confirm the results of previous REMPI and ZEKE studies which indicated that while the phenol.Ar complex adopts a van der Waals structure, phenol.N-2 and phenol.CO adopt planar hydrogen-bonding structures where the ligand binds to the OH group of the phenol moiety. In addition, we discuss recent progress towards rotational band contour analysis in ZEKE spectroscopy using the 'spectator model'. (C) 2000 Elsevier Science B.V. All rights reserved.

引用

页码：231 / 239

页数：9

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