EXTREMAL PROPERTIES OF SECULAR EQUATION FOR MOLECULAR VIBRATIONS

被引：16

作者：

FREEMAN, DE

机构：

来源：

JOURNAL OF MOLECULAR STRUCTURE | 1969年 / 4卷 / 2-4期

关键词：

D O I：

10.1016/0022-2860(69)80050-5

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：

The occurrence of a stationary or extremal diagonal force constant in the general secular equation for molecular vibrations leads to peculiarities in the normal coordinates, in the distribution of potential energy among the force constants, and in the secular determinant which then admits of a linear factor. Diazomethane and XY3Z molecules are discussed as examples. Diagonal force constants determined by the method of progressive rigidity possess a minimal property. © 1969.

引用

收藏

页码：145 / &

相关论文

共 19 条

[1] THE CALCULATION OF FORCE CONSTANTS AND NORMAL CO-ORDINATES .2. METHYL FLUORIDE [J].

ALDOUS, J ;

MILLS, IM .

SPECTROCHIMICA ACTA, 1962, 18 (08) :1073-1091

[2] ZUR UBERWINDUNG DER VIELDEUTIGKEIT BEI DER BERECHNUNG VON KRAFTKONSTANTEN AUS NORMALSCHWINGUNGEN [J].

BECHER, HJ ;

BALLEIN, K .

ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-FRANKFURT, 1967, 54 (5-6) :302-&

[3]

Decius J. C., 1955, MOLECULAR VIBRATIONS

[4] THE CALCULATION OF FORCE CONSTANTS AND NORMAL COORDINATES .6. FORCE CONSTANTS OF THE SILYL GROUP [J].

DUNCAN, JL .

SPECTROCHIMICA ACTA, 1964, 20 (12) :1807-1814

[5] APPLICATION OF HYBRID ORBITAL FORCE FIELD TO A SERIES OF CH2X MOLECULES [J].

FLETCHER, WH ;

THOMPSON, WT .

JOURNAL OF MOLECULAR SPECTROSCOPY, 1968, 25 (02) :240-&

[6]

FREEMAN D, IN PRESS

[7] Extremal force constants in the cubic secular equation for molecular vibrations [J].

Freeman, D. E. .

CHEMICAL PHYSICS LETTERS, 1968, 2 (08) :615-618

[8] DETERMINATION OF MOLECULAR VIBRATIONAL FORCE CONSTANTS FROM KINEMATICALLY DEFINED NORMAL COORDINATES [J].

FREEMAN, DE .

JOURNAL OF MOLECULAR SPECTROSCOPY, 1968, 27 (1-4) :27-&

[9] TRANSFERABLE FORCE FIELDS FOR CHLORINATED GERMANES AND SILANES [J].

FREEMAN, DE ;

WILSON, MK .

SPECTROCHIMICA ACTA, 1965, 21 (10) :1825-&

[10] INFRARED SPECTRA OF GERMYL HALIDES [J].

FREEMAN, DE ;

RHEE, KH ;

WILSON, MK .

JOURNAL OF CHEMICAL PHYSICS, 1963, 39 (11) :2908-+