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 χ aa = −186.4 ± 0.1 MHz, χ bb = 43.5 ± 0.2 MHz, χ cc = 142.9 ± 0.2 MHz, and the asymmetry parameter, η = 0.533 ± 0.002. Analysis of the quadrupole coupling constants indicated that the population of the 4 p orbitals on arsenic decrease in the order n a > n b > n c .