Mass analyzed threshold ionization spectroscopy of 4-aminobenzonitrile cation

被引:36
作者
Huang, LCL [1 ]
Lin, JL [1 ]
Tzeng, WB [1 ]
机构
[1] Acad Sinica, Inst Atom & Mol Sci, Taipei 106, Taiwan
关键词
D O I
10.1016/S0301-0104(00)00290-1
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
Mass analyzed threshold ionization (MATI) and two-color resonant two-photon ionization (R2PI) methods were used to investigate the ionic properties of 4-aminobenzonitrile (4-ABN). The adiabatic ionization energy of this molecule was determined to be 66493 +/- 3 cm(-1) by the MATI spectroscopy and 66494 +/- 7 cm(-1) by the two-color R2PI spectroscopy. The active vibrations of the 4-ABN cation include the in-plane ring deformation, CC stretching, C-CN stretching, and CH bending motions. The present experimental results are well supported by our ab initio and density functional theory calculations. (C) 2000 Elsevier Science B.V. All rights reserved.
引用
收藏
页码:449 / 455
页数:7
相关论文
共 21 条
[1]   Rotationally resolved electronic spectroscopy of 4-aminobenzonitrile [J].
Berden, G ;
vanRooy, J ;
Meerts, WL ;
Zachariasse, KA .
CHEMICAL PHYSICS LETTERS, 1997, 278 (4-6) :373-379
[2]  
BUCHS A, 1970, HELV CHIM ACTA, V53, P2026
[3]   FACTORS AFFECTING LIFETIMES AND RESOLUTION OF RYDBERG STATES OBSERVED IN ZERO-ELECTRON-KINETIC-ENERGY SPECTROSCOPY [J].
CHUPKA, WA .
JOURNAL OF CHEMICAL PHYSICS, 1993, 98 (06) :4520-4530
[4]  
Frisch M.J., 2016, Gaussian 16 Revision C. 01. 2016, V16, P01
[5]   LASER-INDUCED FLUORESCENCE OF JET-COOLED 4-AMINOBENZONITRILE [J].
GIBSON, EM ;
JONES, AC ;
PHILLIPS, D .
CHEMICAL PHYSICS LETTERS, 1988, 146 (3-4) :270-274
[6]   LASER-INDUCED FLUORESCENCE SPECTROSCOPY OF 4-AMINOBENZONITRILE, 4-(N,N-DIMETHYLAMINO)BENZONITRILE, AND THEIR VANDERWAALS COMPLEXES IN A SUPERSONIC JET [J].
GIBSON, EM ;
JONES, AC ;
TAYLOR, AG ;
BOUWMAN, WG ;
PHILLIPS, D ;
SANDELL, J .
JOURNAL OF PHYSICAL CHEMISTRY, 1988, 92 (19) :5449-5455
[7]   STRUCTURE AND CRYSTAL PACKING OF 4-AMINOBENZONITRILES AND 4-AMINO-3,5-DIMETHYLBENZONITIRLES AT VARIOUS TEMPERATURES [J].
HEINE, A ;
HERBSTIRMER, R ;
STALKE, D ;
KUHNLE, W ;
ZACHARIASSE, KA .
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 1994, 50 :363-373
[8]   2-COLOR LASER PHOTOELECTRON-SPECTROSCOPY OF ELECTRONICALLY EXCITED CATIONS - VIBRATIONALLY RESOLVED SPECTRUM OF THE (2)A(2) STATE OF ANILINE [J].
KIM, BJ ;
WEBER, PM .
JOURNAL OF PHYSICAL CHEMISTRY, 1995, 99 (09) :2583-2588
[9]   INTRAMOLECULAR CHARGE-TRANSFER AND THERMAL EXCIPLEX DISSOCIATION WITH PARA-AMINOBENZONITRILES IN TOLUENE [J].
LEINHOS, U ;
KUHNLE, W ;
ZACHARIASSE, KA .
JOURNAL OF PHYSICAL CHEMISTRY, 1991, 95 (05) :2013-2021
[10]   Ab initio calculations and supersonic jet studies on the geometry of 4-dimethylaminobenzonitrile (DMABN) and related compounds in the ground and excited state [J].
Lommatzsch, U ;
Brutschy, B .
CHEMICAL PHYSICS, 1998, 234 (1-3) :35-57