SOME PROPERTIES OF FORCE CONSTANT SOLUTIONS

被引:55
作者
SAWODNY, W
机构
[1] Laboratorium für anorganische Chemie der Universität, Stuttgart
关键词
D O I
10.1016/0022-2852(69)90235-5
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
Some general aspects of the force constant ellipses representing the multiplicity of solutions for the secular equation of second degree are studied. The concept of coupling of the two vibrational frequencies is discussed. On the basis of these considerations, one is able to derive some necessary conditions of approximations to the constants of the GVFF. It is shown that the force constant set determined by the extremal values of one of the diagonal constants, which recently was supposed to be a good approximation to the GVFF, accomplishes these requirements only in special cases. © 1969.
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页码:56 / &
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共 20 条
[1]   FORCE FIELDS OF CL20 AND CL2O7 [J].
BEAGLEY, B ;
CLARK, AH ;
CRUICKSH.DW .
CHEMICAL COMMUNICATIONS, 1966, (14) :458-&
[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]  
BILLES F, 1966, ACTA CHIM HUNG, V47, P53
[4]   F(LAMBDA) = LAMBDA.G-1 ALS LOSUNG DER SAKULARGLEICHUNG BEI N GLEICHEN EIGENWERTEN [J].
FADINI, A .
ZEITSCHRIFT FUR NATURFORSCHUNG PART A-ASTROPHYSIK PHYSIK UND PHYSIKALISCHE CHEMIE, 1966, A 21 (04) :484-&
[5]  
FADINI A, 1966, Z NATURFORSCH PT A, VA 21, P2055
[6]   METHOD FOR COMPUTATION OF APPROXIMATE VIBRATIONAL FORCE CONSTANTS [J].
HERRANZ, J ;
CASTANO, F .
SPECTROCHIMICA ACTA, 1966, 22 (11) :1965-&
[7]   MOLECULAR FORCE FIELDS OF OCTAHEDRAL XF6 MOLECULES [J].
KIM, H ;
SOUDER, PA ;
CLAASSEN, HH .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1968, 26 (01) :46-&
[8]   VIBRONIC INTERACTIONS IN VANADIUM TETRACHLORIDE BY GAS ELECTRON DIFFRACTION [J].
MORINO, Y ;
UEHARA, H .
JOURNAL OF CHEMICAL PHYSICS, 1966, 45 (12) :4543-&
[9]  
MULLER A, 1968, Z PHYS CHEM-LEIPZIG, V238, P116
[10]   GEOMETRIC VISUALIZATION OF NORMAL-COORDINATE TRANSFORMATIONS - APPLICATION TO THE CALCULATION OF BOND-MOMENT PARAMETERS AND FORCE CONSTANTS [J].
PERSON, WB ;
CRAWFORD, B .
JOURNAL OF CHEMICAL PHYSICS, 1957, 26 (05) :1295-1301