INFRARED INTENSITIES - MO STUDY OF SOME PROPERTIES OF BOND POLAR PARAMETERS IN FLUORINATED ETHYLENES

被引：10

作者：

GALABOV, B ^{[1
]}

ORVILLETHOMAS, WJ ^{[1
]}

机构：

[1] UNIV SALFORD,DEPT CHEM,SALFORD M5 4WT,LANCASHIRE,ENGLAND

来源：

JOURNAL OF CHEMICAL PHYSICS | 1979年 / 71卷 / 11期

关键词：

D O I：

10.1063/1.438255

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：

Infrared intensities depend upon the polar nature of valence bonds. Model molecular orbital studies show that to a great extent contributions assumed to arise from vibrational motions associated with individual bonds are additive. It is shown that in general it is not possible to obtain identical bond polar parameters from the consideration of vibrations belonging to different symmetry classes. © 1979 American Institute of Physics.

引用

页码：4716 / 4719

页数：4

共 17 条

[1]

BARNES AJ, 1977, VIB SPECTROSC, pCH13

[2]

BIARGE JF, 1961, AN SOC ESP FIS QUIM, V57A, P81

[3] CNDO CALCULATION OF DIPOLE-MOMENT DERIVATIVES AND INFRARED INTENSITIES OF C6H6 AND C6F6 [J].

BRUNS, RE ;

PERSON, WB .

JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (01) :324-&

[4] EFFECTIVE ATOMIC CHARGE MODEL FOR INFRARED INTENSITIES [J].

DECIUS, JC .

JOURNAL OF MOLECULAR SPECTROSCOPY, 1975, 57 (03) :348-362

[5] RELATION OF REHYBRIDIZATION MOMENTS AND BOND MOMENT THEORY [J].

GALABOV, B ;

ORVILLET.WJ .

JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 1972, 68 (10) :1778-+

[6]

GRIBOV LA, 1964, INTENSITY THEORY INF

[7] ORIGIN AND ROLE OF REHYBRIDIZATION MOMENTS IN DETERMINING INFRA-RED INTENSITIES [J].

JALSOVSZKY, G ;

ORVILLET.WJ .

TRANSACTIONS OF THE FARADAY SOCIETY, 1971, 67 (583) :1894-+

[8] INFRARED INTENSITY SUM-RULE AND EFFECTIVE CHARGES [J].

KING, WT ;

BLANCHETTE, PP ;

MAST, GB .

JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (09) :4440-+

[9] COMPUTATION OF INTENSITIES IN VIBRATION SPECTRA OF MOLECULES [J].

MAYANTS, LS ;

AVERBUKH, BS .

JOURNAL OF MOLECULAR SPECTROSCOPY, 1967, 22 (02) :197-&

[10] DIPOLE-MOMENT DERIVATIVES AND INFRARED INTENSITIES .1. POLAR TENSORS [J].

PERSON, WB ;

NEWTON, JH .

JOURNAL OF CHEMICAL PHYSICS, 1974, 61 (03) :1040-1049

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