Molecular Quadrupole Moment, Molecular Magnetic Susceptibilities, and Molecular g Values in Benzene

Abstract

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) × 10−26esu·cm2. The second moment of the electronic charge distribution in benzene is also given as 〈a2〉 = 〈b2〉 = (60.1 ± 1.5) ± 10−16cm2 and 〈c2〉 = (7.7 ± 1.6) × 10−16cm2. The molecular g values are gaa = gbb = − (0.068 ± 0.025) and gcc = + (0.053 ± 0.017). The diamagnetic and paramagnetic susceptibilities are χaad = χbbd = − (286 ± 10) × 10−6, χccd = − (508 ± 20) × 10−6, χaap = χbbp = (251 ± 10) × 10−6, and χccp = (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.