FRANCK-CONDON ANALYSES ON THE 1ST PHOTOELECTRON BANDS OF FORMALDEHYDE AND ITS DEUTERATED SPECIES

被引：8

作者：

CHAU, FT ^{[1
]}

MCDOWELL, CA ^{[1
]}

机构：

[1] UNIV BRITISH COLUMBIA,DEPT CHEM,VANCOUVER V6T 1Y6,BC,CANADA

来源：

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY | 1990年 / 46卷 / 05期

关键词：

D O I：

10.1016/0584-8539(90)80027-V

中图分类号：

O433 [光谱学];

学科分类号：

0703 ; 070302 ;

摘要：

An iterative Franck-Condon analysis procedure was applied to a three-mode system to deduce ionic geometries of formaldehyde and its deuterated species upon X2B2←X1A1 ionization processes. The ionic geometries thus derived agree with one another and are parallel in signs with those predicted from changes in overlap populations and the nodal repulsive forces model. Furthermore, the calculated ionic geometries were found to be insensitive to the Duschinsky matrix relating to the two combining states. © 1990.

引用

页码：723 / 729

页数：7

共 25 条

[1]

[Anonymous], 1970, APPROXIMATE MOL ORBI

[2]

[Anonymous], 1955, MOL VIBRATIONS

[3] AN ITERATIVE FRANCK-CONDON ANALYSIS PROCEDURE FOR THE DETERMINATION OF IONIC GEOMETRIES FOR H20 AND H2S [J].

CHAU, FT .

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA, 1989, 48 (3-4) :389-403

[4]

CHAU FT, 1984, SPECTROCHIM ACTA A, V40, P629

[5]

CHAU FT, 1987, J MOL STRUC-THEOCHEM, V151, P173

[6]

CHAU FT, 1987, J MOL STRUC-THEOCHEM, V151, P157

[7]

COON JB, 1962, J MOL SPECTROSC, V8, P235

[8] THE INFRARED AND RAMAN SPECTRA OF FORMALDEHYDE-D1 VAPOR [J].

DAVIDSON, DW ;

STOICHEFF, BP ;

BERNSTEIN, HJ .

JOURNAL OF CHEMICAL PHYSICS, 1954, 22 (02) :289-294

[9] MOLECULAR-ORBITAL PREDICTIONS OF THE VIBRATIONAL FREQUENCIES OF SOME MOLECULAR-IONS [J].

DEFREES, DJ ;

MCLEAN, AD .

JOURNAL OF CHEMICAL PHYSICS, 1985, 82 (01) :333-341

[10] MANY-BODY APPROACH TO VIBRATIONAL STRUCTURE IN MOLECULAR ELECTRONIC-SPECTRA .2. APPLICATION TO NITROGEN, CARBON-MONOXIDE, AND FORMALDEHYDE [J].

DOMCKE, W ;

CEDERBAUM, LS .

JOURNAL OF CHEMICAL PHYSICS, 1976, 64 (02) :612-625

← 1 2 3 →