Infrared photodissociation spectra of the C-H stretch vibrations of C6H6+-Ar, C6H6+-N2, and C6H6+-(CH4)1-4

被引:64
作者
Dopfer, O [1 ]
Olkhov, RV [1 ]
Maier, JP [1 ]
机构
[1] Univ Basel, Inst Phys Chem, CH-4056 Basel, Switzerland
关键词
D O I
10.1063/1.480492
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
Vibrational infrared photodissociation spectra of mass selected C6H6+-Ar, C6H6+-N-2, and C6H6+-(CH4)(1-4) ionic complexes are recorded in the spectral range of the C-H stretching vibrations. Transitions at 3095 +/- 15 cm(-1) occur in all spectra and are assigned to C-H stretch fundamentals of the benzene cation in its E-2(1g) electronic ground state. In the case of the C6H6+-(CH4)(1-4) complexes, additional transitions at 2904 +/- 7 and 3010 +/- 24 cm(-1) are observed and attributed to the symmetric and antisymmetric C-H stretch vibrations of the CH4 ligands, nu(1) and nu(3). The deduced C-H stretching vibrations of C6H6+ in the E-2(1g) ground state are roughly 30 cm(-1) higher than the corresponding frequencies in the (1)A(1g) electronic ground state of the neutral species, indicating that the C-H bonds become stronger upon removal of an electron from the highest occupied e(1g) orbital of C6H6. (C) 1999 American Institute of Physics. [S0021-9606(99)01648-7].
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页码:10754 / 10757
页数:4
相关论文
共 36 条
[1]   POLYCYCLIC AROMATIC-HYDROCARBONS AND THE UNIDENTIFIED INFRARED-EMISSION BANDS - AUTO EXHAUST ALONG THE MILKY-WAY [J].
ALLAMANDOLA, LJ ;
TIELENS, AGGM ;
BARKER, JR .
ASTROPHYSICAL JOURNAL, 1985, 290 (01) :L25-L28
[2]   Jahn-Teller effect in the vibrational structure of the photoelectron spectrum of benzene [J].
Asbrink, L. ;
Lindholm, E. ;
Edqvist, O. .
CHEMICAL PHYSICS LETTERS, 1970, 5 (09) :609-612
[3]   ELECTRONIC SPECTROSCOPY OF SIZE-SELECTED IONIC COMPLEXES [J].
BIESKE, EJ .
JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS, 1995, 91 (01) :1-12
[4]  
Bréchignac P, 1999, ASTRON ASTROPHYS, V343, pL49
[5]   Intermolecular interaction in proton-bound dimers.: Infrared photodissociation spectra of Rg-HOCO+ (Rg = He, Ne, Ar) complexes [J].
Dopfer, O ;
Olkhov, RV ;
Roth, D ;
Maier, JP .
CHEMICAL PHYSICS LETTERS, 1998, 296 (5-6) :585-591
[6]   METASTABLE DECAY AND BINDING-ENERGIES OF VANDERWAALS CLUSTER IONS [J].
ERNSTBERGER, B ;
KRAUSE, H ;
NEUSSER, HJ .
ZEITSCHRIFT FUR PHYSIK D-ATOMS MOLECULES AND CLUSTERS, 1991, 20 (1-4) :189-192
[7]  
Frisch M. J., 2004, GAUSSIAN 03
[8]   Autoionization-detected infrared spectroscopy of jet-cooled aromatic cations in the gas phase:: CH stretching vibrations of isolated p-ethylphenol cations [J].
Fujii, A ;
Fujimaki, E ;
Ebata, T ;
Mikami, N .
CHEMICAL PHYSICS LETTERS, 1999, 303 (3-4) :289-294
[9]  
GUELACHVILI G, HDB INFRAED STANDARD
[10]   GROUND-STATE POTENTIAL SURFACE FOR VANDERWAALS COMPLEXES - ABINITIO 2ND-ORDER MOLLER-PLESSET STUDY ON BENZENE...N-2 VANDERWAALS MOLECULE [J].
HOBZA, P ;
BLUDSKY, O ;
SELZLE, HL ;
SCHLAG, EW .
JOURNAL OF CHEMICAL PHYSICS, 1993, 98 (08) :6223-6226