期刊论文详细信息
| International Journal of Molecular Sciences | |
| Electric Field Effects on 2JHH Spin-Spin Coupling Constants | |
| 关键词: Spin-spin coupling; NMR; electric field; solvent shift; | |
| DOI : 10.3390/i4040218 | |
| 来源: DOAJ | |
【 摘 要 】
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.
【 授权许可】
Unknown
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