Electric Field Effects on 2JHH Spin-Spin Coupling Constants

International Journal of Molecular Sciences

关键词: Spin-spin coupling;    NMR;    electric field;    solvent shift;   

DOI  :  10.3390/i4040218

来源: mdpi

【 摘 要 】

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 spin- orbit (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.

【 授权许可】

Unknown   
© 2003 by MDPI, Basel, Switzerland.