We present ab initio perturbation calculations of the electronic spin᎐orbit interaction contributions to indirect spin᎐spin coupling tensors using linear and quadratic response methods. The effects of both the Fermi-contact and the spin᎐dipole interactions as well as the one-and two-electron spin᎐or
Contribution of π-electrons to nuclear spin-spin coupling of aromatic protons
✍ Scribed by Harden M. McConnell
- Publisher
- Elsevier Science
- Year
- 1957
- Tongue
- English
- Weight
- 475 KB
- Volume
- 1
- Category
- Article
- ISSN
- 0022-2852
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Ab initio SCF and Cl calculations of the orbital diama:gwtic contribution to nuclear spin-spin coupling constants ha\c been performed for a series of moicculcs containinp multiple bonds. A striking feature of the results is the prediction of consistently large contributions to vicinal (trans) and gc
## Abstract In practice, many situations arise when a perturbed nuclear spin relies upon the aid of a rapidly relaxed spin neighbor in order to realize thermal equilibrium. Conventional treatments view the efficiently relaxed spin as part of the ‘lattice’, invoke the secular approximation, and cons