Vibronic and cation spectroscopy of m-chloroaniline

被引:10
作者
Huang, Wei Chih [1 ]
Yeh, Wen Lan [1 ]
Tzeng, Wen Bih [1 ,2 ]
机构
[1] Acad Sinica, Inst Atom & Mol Sci, Taipei 10617, Taiwan
[2] Natl Taiwan Normal Univ, Dept Chem, Taipei 11677, Taiwan
关键词
Resonant two-photon ionization; Threshold ionization; Vibronic spectra; Cation spectra; m-Chloroaniline; ANALYZED THRESHOLD IONIZATION; ELECTRONIC-TRANSITION; FLUOROANILINE; STATES; MODEL; ISOTOPOMERS; BENZENE;
D O I
10.1016/j.jms.2011.08.004
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
We applied the resonant two-photon ionization and mass-analyzed threshold ionization spectroscopic techniques to record the vibronic and cation spectra of m-chloroaniline. The band origin of the first electronic transition was found to be 33658 +/- 2 cm(-1), whereas the adiabatic ionization energy was determined to be 63958 5 cm-1. Within our experimental detection limit, these measured values are the same for both of the Cl-35 and Cl-37 isotopomers. The observed active modes of this molecule in the electronically excited S-1 and cationic ground D-0 states mainly involve the in-plane ring deformation and substituent-sensitive bending vibrations. (C) 2011 Elsevier Inc. All rights reserved.
引用
收藏
页码:248 / 253
页数:6
相关论文
共 28 条
[1]  
[Anonymous], J CHEM PHYS
[2]  
[Anonymous], J CHEM PHYS
[3]   Mass analyzed threshold ionization spectra of phenol•••Ar2: ionization energy and cation intermolecular vibrational frequencies [J].
Armentano, Antonio ;
Tong, Xin ;
Riese, Mikko ;
Pimblott, Simon M. ;
Mueller-Dethlefs, K. ;
Fujii, Masaaki ;
Dopfer, Otto .
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2011, 13 (13) :6071-6076
[4]   KINETIC STUDIES IN MASS SPECTROMETRY .4. [M-CL] REACTION IN SUBSTITUTED CHLOROBENZENES AND QUESTION OF MOLECULAR ION ISOMERIZATION [J].
BROWN, P .
ORGANIC MASS SPECTROMETRY, 1970, 3 (05) :639-+
[5]   Molecular excitation energies to high-lying bound states from time-dependent density-functional response theory: Characterization and correction of the time-dependent local density approximation ionization threshold [J].
Casida, ME ;
Jamorski, C ;
Casida, KC ;
Salahub, DR .
JOURNAL OF CHEMICAL PHYSICS, 1998, 108 (11) :4439-4449
[6]   One-photon mass-analyzed threshold ionization spectroscopy of bis (η6-benzene)chromium and its benzene and Ar clusters [J].
Choi, KW ;
Kim, SK ;
Ahn, DS ;
Lee, S .
JOURNAL OF PHYSICAL CHEMISTRY A, 2004, 108 (51) :11292-11295
[7]   Photoelectron spectroscopy without photoelectrons: Twenty years of ZEKE spectroscopy [J].
Cockett, MCR .
CHEMICAL SOCIETY REVIEWS, 2005, 34 (11) :935-948
[8]   The S1 neutral and D0 cationic states of fluorobenzene and fluorobenzene-argon probed by ZEKE spectroscopy with partial rotational resolution [J].
Ford, MS ;
Müller-Dethlefs, K .
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2004, 6 (01) :23-31
[9]  
Frisch M. J., 2016, Gaussian 03 Revision B.03
[10]   REMPI and MATI spectroscopic investigation of dichlorobenzene-argon complexes: determination of the binding energies [J].
Gaber, Angela ;
Riese, Mikko ;
Witte, Frank ;
Grotemeyer, Juergen .
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2009, 11 (10) :1628-1635