Electric Field Effects on ²J_HH Spin-Spin Coupling Constants

Abstract: Some calculations of the electric field derivative of the spin-spin coupling constant on molecules in the series CH₃F, CH₃Cl, CH₃Br, CH₃I, CH₄, CH₃Li, CH₃Na and CH₃K have been presented. The data is broken down into the 4 terms of the Ramsey theory: Fermi contact (FC); diamagnetic spin-orbit (DSO); paramagnetic spinorbit (PSO) and spin-dipolar (SD). The FC term is seen to dominate all the calculated Js and their derivatives presented here. The situation where the FC term does not dominate in other molecules is discussed as a contrast.