Phosphorus-31 CP/MAS NMR spectra of two linear bis(tribenzylphosphine)cuprate(I) salts reveal significant anisotropy in the one-bond 31 P, 63,65 Cu J tensors. The parallel and perpendicular components of 1 J( 31 P, 63 Cu), for example, are ؉2.0 and ؉1.3 kHz, respectively. The well-characterized spac
Indirect Nuclear Spin—Spin Coupling Tensors
✍ Scribed by Roderick E. Wasylishen
- Publisher
- John Wiley and Sons
- Year
- 2003
- Weight
- 49 KB
- Volume
- 34
- Category
- Article
- ISSN
- 0931-7597
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
The relativistic zeroth-order regular approximation (ZORA) DFT method was employed to investigate indirect spin-spin coupling tensors involving fluorine, (1)J(X, F). The relative contributions of the mechanisms contributing to (1)J(X, F) are discussed, with special attention paid to the magnitude an
## Abstract We present calculations of indirect nuclear spin–spin coupling constants in large molecular systems, performed using density functional theory. Such calculations, which have become possible because of the use of linear‐scaling techniques in the evaluation of the Coulomb and exchange‐cor