REMPI and IR-UV double resonance spectroscopy of 3-aminophenol•(NH3)1 cluster in the gas phase

被引：6

作者：

Kim, Minho ^{[2
]}

Kim, Sang-Su ^{[1
]}

Kang, Hyuk ^{[1
]}

Park, Young Dong ^{[1
]}

机构：

[1] Ajou Univ, Dept Chem, Suwon 443749, South Korea

[2] Ajou Univ, Div Energy Syst Res, Suwon 443749, South Korea

来源：

JOURNAL OF MOLECULAR SPECTROSCOPY | 2010年 / 263卷 / 01期

基金：

新加坡国家研究基金会;

关键词：

Excited state hydrogen transfer; ESHT; Phenol; Aminophenol; Ammonia cluster; STATE PROTON-TRANSFER; EXCITED-STATE; HYDROGEN-TRANSFER; IDENTITY APPROXIMATION; MODEL CC2; JET; DYNAMICS; AMINOPHENOL; DETACHMENT; EXCITATION;

D O I：

10.1016/j.jms.2010.06.011

中图分类号：

O64 [物理化学（理论化学）、化学物理学]; O56 [分子物理学、原子物理学];

学科分类号：

070203 ; 070304 ; 081704 ; 1406 ;

摘要：

The electronic and geometric structures of the cluster consisting of 3-aminophenol (3AP) and one ammonia molecule were investigated using resonance-enhanced multiphoton ionization and IR-UV double resonance spectroscopy in the gas phase. Between the cis and trans isomers found for the bare 3AP molecule, only trans isomer was found for 3AP center dot(NH3)(1). It was found that complete quenching of the excited state of cis isomer, e.g. by conformer-specific excited state hydrogen transfer reaction, does not seem to occur, but that efficient conformational cooling drives the ground state population into the most stable trans isomer. The 0-0 band of the trans-3AP center dot(NH3)(1) at 34 409 cm(-1) is red-shifted by 68 cm(-1) from that of the trans-3AP at 34 477 cm(-1). The IR depletion spectrum shows that the stretching vibration (3296 cm(-1)) is red-shifted by 362 cm(-1) from that of the bare molecule. The large red-shift in OH frequency, combined with MP2 calculation, reveals that the structure of the cluster is the one with the nitrogen atom of ammonia bound to the hydroxyl hydrogen of aminophenol. (C) 2010 Elsevier Inc. All rights reserved.

引用

页码：51 / 55

页数：5

共 31 条

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