MOLECULAR QUADRUPOLE-MOMENTS, MAGNETIC ANISOTROPIES, AND CHARGE-DISTRIBUTIONS OF BORAZINE, B-TRICHLOROBORAZINE, N-TRIMETHYLBORAZINE, AND B-TRICHLORO-N-TRIMETHYLBORAZINE - COMPARISON WITH BENZENE AND ITS DERIVATIVES

被引:17
作者
DENNIS, GR
RITCHIE, GLD
机构
[1] UNIV NEW ENGLAND,DEPT CHEM,ARMIDALE,NSW 2351,AUSTRALIA
[2] UNIV WESTERN SYDNEY,SCH SCI & TECHNOL,NEPEAN,NSW 2750,AUSTRALIA
关键词
D O I
10.1021/j100134a008
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
Measurements of the dilute-solution molar Kerr constants, field-gradient birefringence constants, and Cotton-Mouton constants of borazine and three substituted borazines as solutes in cyclohexane or carbon tetrachloride at 25-degrees-C are reported. The observations yield the first direct experimental values of the effective polarizability anisotropies, electric quadrupole moments, and magnetic anisotropies, which are important descriptors of the molecular charge distributions. A comparison of the results for borazine with literature data for benzene shows that all three properties have the same signs in the two species but that all are considerably smaller in magnitude in borazine than in benzene. An analysis of the magnetizabilities indicates that the extent of electron delocalization in borazine is only about one-third of that in benzene, a conclusion which is consistent with a range of other evidence.
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页码:8403 / 8409
页数:7
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