Electronic structure of arsabenzene: Microwave spectrum, dipole moment, and nuclear quadrupole coupling constants

Abstract

The microwave spectrum of arsabenzene was analyzed; a dipole transitions were observed. The following rotational constants were obtained; A = 4871.03 +/- 0.18 MHz, B = 2295.87 +/- 0.01 MHz, C = 1560.10 +/- 0.01 MHz. The dipole moment was 1.10 +/- 0.04 D. The nuclear quadrupole coupling constants due to the 75As nucleus were [chi]aa = -186.4 +/- 0.1 MHz, [chi]bb = 43.5 +/- 0.2 MHz, [chi]cc = 142.9 +/- 0.2 MHz, and the asymmetry parameter, [eta] = 0.533 +/- 0.002. Analysis of the quadrupole coupling constants indicated that the population of the 4p orbitals on arsenic decrease in the order na > nb > nc.