Shenderovich, Ilya G. (2020) Electric field effect on P-31 NMR magnetic shielding. JOURNAL OF CHEMICAL PHYSICS, 153 (18): 184501. ISSN 0021-9606, 1089-7690
Full text not available from this repository. (Request a copy)Abstract
Magnetic shielding depends on molecular structure and noncovalent interactions. This study shows that it is also measurably dependent on the electric field generated by surrounding molecules. This effect has been observed explicitly for P-31 nucleus using the adduct under field approach. The results obtained indicate that the field strength experienced by molecules in crystals consisting of molecules with large dipole moments is similar to that in polar solvents. Therefore, magnetic shielding should explicitly depend on solvent polarity. It is important to note that this effect cannot be reproduced correctly within the polarizable continuum model approach.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | CHEMICAL-SHIFT TENSOR; SOLID-STATE NMR; ACID N-OXIDE; HYDROGEN-BOND; THEORETICAL INTERPRETATION; PHOSPHINE OXIDES; PHOSPHORIC-ACIDS; BASIS-SETS; AB-INITIO; COMPLEXES; |
| Subjects: | 500 Science > 540 Chemistry & allied sciences |
| Divisions: | Chemistry and Pharmacy > Institut für Organische Chemie |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 08 Mar 2021 09:28 |
| Last Modified: | 08 Mar 2021 09:28 |
| URI: | https://pred.uni-regensburg.de/id/eprint/43378 |
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