The effects of vibration-rotation interaction on the quadrupole hyperfine structure of molecular rotational levels

Linelists for NH3, NH2D, ND2H, and ND3 with quadrupole coupling hyperfine components

“…The quadrupole coupling Hamiltonian W used here is the equivalent operator arising when only ∆J = 0 matrix elements are sought (Hougen & Oka 1981;Aliev & Hougen 1984): where α and β run over the molecule-fixed coordinates x, y, z, the symbol e denotes the electronic charge, Q is the nuclear quadrupole moment, q αβ is the electric field gradient tensor, J α are components of the rotational angular momentum J, and…”

Microwave spectrum, tunneling motions, and quadrupole coupling hyperfine structure of ethylene diamine

“…(2) of Ref. [9], eQ is the quadrupole moment of a nitrogen atom; b, c run over the molecule-fixed coordinates x, y, z, the J b are components of the rotational angular momentum, q 3 b;c ðn 1 ; n 2 Þ and q 6 b;c ðn 1 ; n 2 Þ are components of the electric field gradient tensor at nitrogen atoms N 3 and N 6 , respectively, and F(I j , J) is an operator corresponding to the Casimir function. The field gradients depend on the two large amplitude coordinates n 1 and n 2 .…”

“…Nonvanishing matrix elements of the rovibrational operators in Eq. (9) between such eigenfunctions are the following:…”

The vt=1 Rovibrational Hamiltonian for C3v Symmetric Top Molecules Containing One Quadrupolar Nucleus: Reductions and Application to AsF3

“…The only limitation to be made is to consider the Hamiltonian of the quadrupole coupling diagonal in the quantum number J. In this case, the effective Hamiltonian for the vibrational state v t = 1 of an oblate symmetric top molecule with C 3v symmetry, including rovibrational and quadrupole interactions up to third order, can be written as (4,5) …”