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
Gr. Dennis et Gld. Ritchie, 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, Journal of physical chemistry, 97(32), 1993, pp. 8403-8409
Measurements of the dilute-solution molar Kerr constants, field-gradie
nt birefringence constants, and Cotton-Mouton constants of borazine an
d three substituted borazines as solutes in cyclohexane or carbon tetr
achloride at 25-degrees-C are reported. The observations yield the fir
st direct experimental values of the effective polarizability anisotro
pies, electric quadrupole moments, and magnetic anisotropies, which ar
e important descriptors of the molecular charge distributions. A compa
rison of the results for borazine with literature data for benzene sho
ws that all three properties have the same signs in the two species bu
t that all are considerably smaller in magnitude in borazine than in b
enzene. An analysis of the magnetizabilities indicates that the extent
of electron delocalization in borazine is only about one-third of tha
t in benzene, a conclusion which is consistent with a range of other e
vidence.