Analysis of the line positions and line intensities in the nu(2) band of the water molecule

被引:30
作者
Coudert, LH [1 ]
机构
[1] UNIV PARIS SUD,LAB PHYS MOL & APPLICAT,UNITE PROPRE CNRS,F-75252 PARIS 05,FRANCE
关键词
D O I
10.1006/jmsp.1996.7171
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
The theoretical approach proposed in a previous investigation (L. II. Coudert, J. Mol. Spectrosc. 165, 406-425 (1994)) to account for the anomalous centrifugal distortion displayed by the water molecule is slightly altered, The new theoretical treatment is first used to carry out a line position analysis of a large data set including the infrared transitions belonging to the nu(2) band measured by Toth (J. Opt. Sec. Am. B 8, 2236-2255 (1991)), far-infrared and microwave transitions within the ground and nu(2) = 1 vibrational states, and rotational levels of the same two vibrational states. After a dipole moment function is chosen, an intensity analysis is performed of a body of data involving mainly the transitions reported by Toth, in which linestrengths are calculated by evaluating the matrix elements of this function with the spectroscopic constants determined in the previous analysis. This second analysis yields information on the dipole moment surface. (C) 1997 Academic Press.
引用
收藏
页码:246 / 273
页数:28
相关论文
共 39 条
[1]  
BASKAKOV OI, 1987, OPT SPEKTROSK+, V63, P1016
[2]   ROTATIONAL SPECTRUM OF THE (H2O)-O-16 MOLECULE IN THE (010) EXCITED VIBRATIONAL-STATE [J].
BELOV, SP ;
KOZIN, IN ;
POLYANSKY, OL ;
TRETYAKOV, MY ;
ZOBOV, NF .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1987, 126 (01) :113-117
[3]   EFFECTIVE PADE HAMILTONIAN OPERATOR AND ITS APPLICATION FOR TREATMENT OF (H2O)-O-16 ROTATIONAL SPECTRUM IN THE GROUND-STATE [J].
BURENIN, AV ;
FEVRALSKIKH, TM ;
KARYAKIN, EN ;
POLYANSKY, OL ;
SHAPIN, SM .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1983, 100 (01) :182-192
[4]   ON THE APPLICATION OF THE EFFECTIVE ROTATIONAL PADE HAMILTONIAN OPERATOR OF THE MOLECULE [J].
BURENIN, AV ;
TYUTEREV, VG .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1984, 108 (01) :153-154
[5]  
BURENIN AV, 1992, OPT SPEKTROSK+, V72, P554
[6]   LINE POSITIONS AND INTENSITIES IN NU2 BAND OF H2O-16 [J].
CAMYPEYRET, C ;
FLAUD, JM .
MOLECULAR PHYSICS, 1976, 32 (02) :523-537
[7]   HIGHER RO-VIBRATIONAL LEVELS OF H2O DEDUCED FROM HIGH-RESOLUTION OXYGEN-HYDROGEN FLAME SPECTRA BETWEEN 6200 AND 9100 CM-1 [J].
CAMYPEYRET, C ;
FLAUD, JM ;
MAILLARD, JP ;
GUELACHVILI, G .
MOLECULAR PHYSICS, 1977, 33 (06) :1641-1650
[8]   A THEORETICAL DETERMINATION OF THE ROVIBRATIONAL ENERGY-LEVELS OF THE WATER MOLECULE [J].
CARTER, S ;
HANDY, NC .
JOURNAL OF CHEMICAL PHYSICS, 1987, 87 (08) :4294-4301
[9]   HIGHLY EXCITED VIBRATIONAL EIGENSTATES OF NONLINEAR TRIATOMIC-MOLECULES - APPLICATION TO H2O [J].
CHOI, SE ;
LIGHT, JC .
JOURNAL OF CHEMICAL PHYSICS, 1992, 97 (10) :7031-7054
[10]   ANALYSIS OF THE ROTATIONAL LEVELS OF WATER AND DETERMINATION OF THE POTENTIAL-ENERGY FUNCTION FOR THE BENDING NU(2) MODE [J].
COUDERT, LH .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1994, 165 (02) :406-425