The Interaction with Molecular Rotation of the Nuclear Electric Quadrupole Moments of Two Nuclei Having Spins 3/2

Abstract

The theory of nuclear electric quadrupole effects in molecules is applied to the particular case of a molecule containing two nuclei each having spin 3/2. The matrix elements of the first‐order Hamiltonian of interaction between the nuclear electric quadrupole moments and the molecular rotational angular momentum are determined in the I₁I₂IJFM_F representation. In one particular case the secular equations may be solved explicitly for the energy levels in terms of J, and the general solutions as well as their numerical values for J≤12 are given. For the other cases, higher‐order secular equations must be solved, and to facilitate this, coefficients in the expanded secular determinants have been computed. The method for obtaining relative line strengths for transitions is described, and numerical values of these are given for some transitions. Applications to the analysis of rotational spectra are also discussed.