LASER-INDUCED FLUORESCENCE SPECTROSCOPY AND STRUCTURE OF MICROSOLVATED MOLECULAR CLUSTERS .2. LASER-INDUCED FLUORESCENCE SPECTROSCOPY OF JET-COOLED ETHYL 4-AMINOBENZOATE, METHYL 4-AMINOBENZOATE, 4-AMINOBENZONITRILE AND THEIR DIMETHYLAMINO AND PYRROLIDINO DERIVATIVES

被引:37
作者
HOWELLS, BD [1 ]
MCCOMBIE, J [1 ]
PALMER, TF [1 ]
SIMONS, JP [1 ]
WALTERS, A [1 ]
机构
[1] UNIV NOTTINGHAM,DEPT CHEM,NOTTINGHAM NG7 2RD,ENGLAND
来源
JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS | 1992年 / 88卷 / 18期
关键词
D O I
10.1039/ft9928802595
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
An iterative band contour simulation strategy has been applied to the analysis of partially resolved rovibronic bands in the laser-induced fluorescence (LIF) spectra of a range of jet-cooled, substituted aromatic amines (4-dimethylaminobenzonitrile, ethyl 4-dimethylaminobenzoate, methyl 4-dimethylaminobenzoate, 4-aminobenzonitrile, ethyl 4-aminobenzoate, methyl 4-aminobenzoate, 4-pyrrolidinobenzonitrile, ethyl 4-pyrrolidinobenzoate and methyl 4-pyrrolidinobenzoate). A internally consistent set of structural parameters has been obtained which, by appeal to the predictions of molecular orbital and/or molecular mechanics calculations, provides an experimentally based set of molecular structures as well as the resolution and identification of alternative molecular conformers.
引用
收藏
页码:2595 / 2601
页数:7
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