INTERNAL AND EXTERNAL FORCE-FIELDS AND NORMAL VIBRATIONS OF THE WATER-MOLECULES IN BA(CLO3)2.H2O AND K2C2O4.H2O

被引:15
作者
ERIKSSON, A
HUSSEIN, MA
BERGLUND, B
TEGENFELDT, J
LINDGREN, J
机构
[1] Institute of Chemistry, University of Uppsala, S-751 21 Uppsala
关键词
D O I
10.1016/0022-2860(79)80098-8
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
Normal coordinate analyses of the water molecules in Ba(ClO3)2.H2O and K2C2O4.H2O have been made. The water molecules have been allowed to vibrate in an effective force field from stationary surrounding atoms, resulting in nine normal modes. Vibrational data from earlier infrared, Raman and neutron inelastic scattering studies have been used for the determination of the force constants. The OH stretching force constants are 7.80 and 6.97 mdyn Å-1 for the water molecules in Ba(ClO3)2.H2O and K2C2O4.H2O, respectively. The force constants for the rotational vibrations about the principal inertial axes of the water molecules range from 0.052 to 0.48 mdyn Å rad-2 and those for the translational vibrations along these axes from 0.17 to 0.66 mdyn Å-1. © 1979.
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页码:95 / 105
页数:11
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