MOLECULAR QUADRUPOLE MOMENT, MOLECULAR MAGNETIC SUSCEPTIBILITIES, AND MOLECULAR G VALUES IN BENZENE

The molecular quadrupole moment in benzene is derived from the values in fluorobenzene. The resultant moment in benzene perpendicular to the molecular plane is Q∥= -(5.6±2.8) ×10-26 esu-cm2. The second moment of the electronic charge distribution in benzene is also given as 〈a2〉= 〈62〉= (60.1±1.5) ×10-16 cm2 and 〈c2〉=(7. 7±1.6)±10-16 cm2. The molecular g values are g aa=gbb= - (0.068±0.025) and gco= + (0.053 ± 0.017). The diamagnetic and paramagnetic susceptibilities are χaab=χbbd= -(286±10) ×10-6, χccd=-(508 ± 20)×10-6, and χccP =(251±10)×10-6, and ξccp= (413±15) × 10-6, all in units of erg/G2 mole. The molecular quadrupole moment and the second moments of the electronic charge distributions are compared to similar molecules.