Email this article Relativistic effects of chlorine in 15N NMR chemical shifts of chlorine-containing amines
- Authors: Samul’tsev D.O.1, Rusakov Y.Y.1, Krivdin L.B.1
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Affiliations:
- Favorskii Irkutsk Institute of Chemistry, Siberian Branch
- Issue: Vol 53, No 11 (2017)
- Pages: 1738-1739
- Section: Short Communications
- URL: https://journals.rcsi.science/1070-4280/article/view/216978
- DOI: https://doi.org/10.1134/S1070428017110215
- ID: 216978
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Abstract
Quantum-chemical calculations by DFT method demonstrated that the accounting is necessary of the shielding by chlorine of nitrogen atom in practical calculations and interpretation of chemical shifts in 15N NMR spectra.
About the authors
D. O. Samul’tsev
Favorskii Irkutsk Institute of Chemistry, Siberian Branch
Email: krivdin_office@irioch.irk.ru
Russian Federation, ul. Favorskogo 1, Irkutsk, 664033
Yu. Yu. Rusakov
Favorskii Irkutsk Institute of Chemistry, Siberian Branch
Email: krivdin_office@irioch.irk.ru
Russian Federation, ul. Favorskogo 1, Irkutsk, 664033
L. B. Krivdin
Favorskii Irkutsk Institute of Chemistry, Siberian Branch
Author for correspondence.
Email: krivdin_office@irioch.irk.ru
Russian Federation, ul. Favorskogo 1, Irkutsk, 664033
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