Relativistic effects of chlorine in 15N NMR chemical shifts of chlorine-containing amines
- Авторы: Samul’tsev D.O.1, Rusakov Y.Y.1, Krivdin L.B.1
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Учреждения:
- Favorskii Irkutsk Institute of Chemistry, Siberian Branch
- Выпуск: Том 53, № 11 (2017)
- Страницы: 1738-1739
- Раздел: Short Communications
- URL: https://bakhtiniada.ru/1070-4280/article/view/216978
- DOI: https://doi.org/10.1134/S1070428017110215
- ID: 216978
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Аннотация
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.
Об авторах
D. Samul’tsev
Favorskii Irkutsk Institute of Chemistry, Siberian Branch
Email: krivdin_office@irioch.irk.ru
Россия, ul. Favorskogo 1, Irkutsk, 664033
Yu. Rusakov
Favorskii Irkutsk Institute of Chemistry, Siberian Branch
Email: krivdin_office@irioch.irk.ru
Россия, ul. Favorskogo 1, Irkutsk, 664033
L. Krivdin
Favorskii Irkutsk Institute of Chemistry, Siberian Branch
Автор, ответственный за переписку.
Email: krivdin_office@irioch.irk.ru
Россия, ul. Favorskogo 1, Irkutsk, 664033
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