Dipole moment of ArH+X1Σ+ from analysis of pure rotational and vibration-rotational spectra

被引:24
作者
Molski, M [1 ]
机构
[1] Adam Mickiewicz Univ, Fac Chem, Dept Theoret Chem, PL-60780 Poznan, Poland
关键词
D O I
10.1016/S0009-2614(01)00601-7
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
By a direct fit to 431 experimental wave numbers of pure rotational and vibration-rotational transitions of ArH(+)X(1)Sigma (+) in six isotopic variants, 16 coefficients of radial functions defining the Born-Oppenheimer potential energy, adiabatic and nonadiabatic effects have been determined at sigma = 0.885 and F = 4.07 x 10(15). Using a relation between nonadiabatic rotational effects and electric and magnetic properties of the molecule, a permanent dipole moment of (ArH+)-Ar-40-H-1 is estitnated as mu (0) = 2.12(55) D which agrees both with the ab initio value 2.2(1)D and the experimental result mu (0) = 3.0(6) D within quoted error limits. (C) 2001 Elsevier Science B.V. All rights reserved.
引用
收藏
页码:293 / 298
页数:6
相关论文
共 20 条
[1]   MEASUREMENT OF THE J=O-]1 ROTATIONAL TRANSITIONS OF 3 ISOTOPES OF ARD+ [J].
BOWMAN, WC ;
PLUMMER, GM ;
HERBST, E ;
DELUCIA, FC .
JOURNAL OF CHEMICAL PHYSICS, 1983, 79 (04) :2093-2095
[2]   FUNDAMENTAL VIBRATION-ROTATION BANDS AND MOLECULAR-CONSTANTS FOR THE ARH+ GROUND-STATE (1-SIGMA+) [J].
BRAULT, JW ;
DAVIS, SP .
PHYSICA SCRIPTA, 1982, 25 (02) :268-271
[3]   The Wentzel-Brillouin-Kramers method of solving the wave equation [J].
Dunham, JL .
PHYSICAL REVIEW, 1932, 41 (06) :713-720
[4]   OBSERVATION OF VIBRATION-ROTATION TRANSITIONS FOR 36ARH+ AND 38ARH+ BY DIODE-LASER ABSORPTION-SPECTROSCOPY [J].
FILGUEIRA, RR ;
BLOM, CE .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1988, 127 (01) :279-280
[5]  
GRUEBELE M, 1984, J MOL SPECTROSC, V106, P124
[6]   An effective Hamiltonian to treat adiabatic and nonadiabatic effects in the rotational and vibrational spectra of diatomic molecules [J].
Herman, RM ;
Ogilvie, JF .
ADVANCES IN CHEMICAL PHYSICS, VOL. 103, 1998, 103 :187-215
[7]   SPECTRA OF THE PROTONATED RARE-GASES [J].
JOHNS, JWC .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1984, 106 (01) :124-133
[8]   DETERMINATION OF THE DIPOLE-MOMENTS OF MOLECULAR-IONS FROM THE ROTATIONAL ZEEMAN EFFECT BY TUNABLE FAR-INFRARED LASER SPECTROSCOPY [J].
LAUGHLIN, KB ;
BLAKE, GA ;
COHEN, RC ;
HOVDE, DC ;
SAYKALLY, RJ .
PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES, 1988, 324 (1578) :109-119
[9]   DETERMINATION OF THE DIPOLE-MOMENT OF ARH+ FROM THE ROTATIONAL ZEEMAN EFFECT BY TUNABLE FAR-INFRARED LASER SPECTROSCOPY [J].
LAUGHLIN, KB ;
BLAKE, GA ;
COHEN, RC ;
HOVDE, DC ;
SAYKALLY, RJ .
PHYSICAL REVIEW LETTERS, 1987, 58 (10) :996-999
[10]   EXPERIMENTAL-DETERMINATION OF DIPOLE-MOMENTS FOR MOLECULAR-IONS - IMPROVED MEASUREMENTS FOR ARH+ [J].
LAUGHLIN, KB ;
BLAKE, GA ;
COHEN, RC ;
SAYKALLY, RJ .
JOURNAL OF CHEMICAL PHYSICS, 1989, 90 (03) :1358-1361