ANHARMONIC CONSTANTS FOR DEGENERATE MODES OF SYMMETRIC TOP MOLECULES

被引：34

作者：

PLIVA, J

机构：

[1] Department of Physics, The Pennsylvania State University, University Park

来源：

JOURNAL OF MOLECULAR SPECTROSCOPY | 1990年 / 139卷 / 02期

关键词：

D O I：

10.1016/0022-2852(90)90065-X

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：

Anharmonic constants χss′ and gtt′ for the doubly degenerate modes of any symmetric top (or linear) molecule have been obtained in terms of the independent cubic and quartic constants, i.e., of the coefficients of the symmetry-allowed combinations of products of the components qt± = qt ± iqt of the degenerate normal coordinates. Examples of application to planar XY3 (D3h) and to allene-type X3Y4 (D2d) molecules are discussed and modifications of the formulas in the presence of Fermi resonances are indicated. © 1990.

引用

页码：278 / 285

页数：8

共 12 条

[1] QUARTIC ANHARMONIC POTENTIAL FUNCTION OF POLYATOMIC MOLECULES [J].

HENRY, L ;

AMAT, G .

JOURNAL OF MOLECULAR SPECTROSCOPY, 1965, 15 (02) :168-&

[2]

HENRY L, 1960, J MOL SPECTROSC, V5, P319

[3]

HENRY L, 1960, CAH PHYS, V14, P230

[4]

Mills I. M., 1972, Molecular Spectroscopy: Modern Research, P115

[5] ANHARMONIC CONSTANTS AND AVERAGE STRUCTURE OF AMMONIA [J].

MORINO, Y ;

KUCHITSU, K ;

YAMAMOTO, S .

SPECTROCHIMICA ACTA PART A-MOLECULAR SPECTROSCOPY, 1968, A 24 (04) :335-&

[6] The vibration-rotation energies of polyatomic molecules [J].

Nielsen, HH .

PHYSICAL REVIEW, 1941, 60 (11) :794-810

[7] THE VIBRATION-ROTATION ENERGIES OF MOLECULES [J].

NIELSEN, HH .

REVIEWS OF MODERN PHYSICS, 1951, 23 (02) :90-136

[8]

NIELSEN HH, 1959, HDB PHYSIK, V37, P173

[9] DIODE-LASER SPECTRUM OF THE NV-7-NV-9+NV-11 BAND SYSTEM OF ALLENE [J].

OHSHIMA, Y ;

YAMAMOTO, S ;

KUCHITSU, K ;

NAKANAGA, T ;

TAKEO, H ;

MATSUMURA, C .

JOURNAL OF MOLECULAR SPECTROSCOPY, 1986, 117 (01) :138-151

[10] ALLENE-D4 - ANALYSIS OF THE NU-5/NU-2+NU-7 BANDS [J].

PLIVA, J ;

ROUSAN, K .

JOURNAL OF MOLECULAR SPECTROSCOPY, 1988, 129 (02) :254-267

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