MOLECULAR G VALUES, MAGNETIC SUSCEPTIBILITIES, MOLECULAR QUADRUPOLE MOMENTS, AND SECOND MOMENTS OF ELECTRONIC CHARGE DISTRIBUTION IN OF2, O3, AND SO2

The rotational Zeeman effect has been observed in several transitions in OF2, O3, and SO2. The absolute values of the molecular g values (gaa, gbb, and gcc) and the signs and magnitudes of the magnetic susceptibility anisotropies [(2 xaa-Xbb-xcc) and (2xbb-xaa-Xcc)3 are obtained by high-resolution microwave spectroscopy with the sample in the presence of high magnitude fields. Arguments are presented to show that all of the molecular g values are negative leading to the molecular quadrupole moments, (Q aa, Qbb, and Qcc) also listed below. The a, b, and c axes are the principal inertial axes in each molecule. The b axis bisects the interatomic angle and the a axis is also in the molecular plane.The units of ξ are 10-6 erg/G2·mole and the units of Q are 10-26 esu·cm2. OF2 O3 SO 2 gaa -(0.213±0.005) -(2.968±0.035) -(0.6037±0.0005) gbb -(0.058±0.002) -(0.228±0.007) - (0.1161±0.0002) gcc-(0.068±0. 002) -(0.081±0.006) - (0.0882±0.0004) (2xaa-xbb-xcc) -(8.8±1.4) +(98.0±5.6) +(6.39±0.53) (2 xbb-xaa-xcc) -(4.4±0.7) -(17.4±4.4) +(3.07±0.34) Qaa -(1.6±1.4) -(17.1±5.2) -(5.3±0.4) Q bb +(2.1±1.1) +(9.2±4.7) +(1.3±0.3) Q cc-(0.5±1.9) +(7.9±7.9) +(4.0±0.6) The diagonal elements in the paramagnetic susceptibility tensor and the anisotropies in the second moment of the electronic charge distributions (〈a 2〉-〈b2〉 and 〈b2〉- 〈c2〉) are computed from the above results and the known molecular structures. The bulk susceptibilities are known for O3 and SO2 which leads to a direct determination of the diagonal elements of the total and diamagnetic susceptibilities and the individual values of 〈a2〉, 〈b2〉, and 〈c 2〉 in these two molecules. The bulk susceptibility for OF 2 is estimated from a reliable estimate of 〈c2〉 for this molecule.