Relativistic effects of chlorine in 15N NMR chemical shifts of chlorine-containing amines

被引：0
|
作者：
D. O. Samul’tsev
Yu. Yu. Rusakov
L. B. Krivdin
机构：
[1] Russian Academy of Sciences,Favorskii Irkutsk Institute of Chemistry, Siberian Branch
来源：
Russian Journal of Organic Chemistry | 2017年 / 53卷
关键词：
D O I：
暂无
中图分类号：
学科分类号：
摘要：
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.
引用
收藏
页码：1738 / 1739
页数：1
相关论文
共 50 条
  • [11] Accounting for intermolecular effects in the calculation of 15N NMR chemical shifts of protonated nitrogen-containing compounds
    V. A. Semenov
    D. O. Samultsev
    L. B. Krivdin
    Russian Journal of Organic Chemistry, 2016, 52 : 1695 - 1696
  • [12] Accounting for intermolecular effects in the calculation of 15N NMR chemical shifts of protonated nitrogen-containing compounds
    Semenov, V. A.
    Samultsev, D. O.
    Krivdin, L. B.
    RUSSIAN JOURNAL OF ORGANIC CHEMISTRY, 2016, 52 (11) : 1695 - 1696
  • [13] 15N NMR chemical shifts for the identification of dipyrrolic structures
    Wood, TE
    Berno, B
    Beshara, CS
    Thompson, A
    JOURNAL OF ORGANIC CHEMISTRY, 2006, 71 (08): : 2964 - 2971
  • [14] 15N NMR chemical shifts of ring substituted benzonitriles
    Zacek, Petr
    Dransfeld, Alk
    Exner, Otto
    Schraml, Jan
    MAGNETIC RESONANCE IN CHEMISTRY, 2006, 44 (12) : 1073 - 1080
  • [15] 15N NMR chemical shifts in papaverine decomposition products
    Czyrski, Andrzej
    Girreser, Ulrich
    Hermann, Tadeusz
    JOURNAL OF MOLECULAR STRUCTURE, 2013, 1036 : 111 - 114
  • [16] Quantum-chemical calculations of NMR chemical shifts of organic molecules: VIII. Solvation effects on 15N NMR chemical shifts of nitrogen-containing heterocycles
    Chernyshev, K. A.
    Semenov, V. A.
    Krivdin, L. B.
    RUSSIAN JOURNAL OF ORGANIC CHEMISTRY, 2013, 49 (03) : 379 - 383
  • [17] Quantum-chemical calculations of NMR chemical shifts of organic molecules: VIII. Solvation effects on 15N NMR chemical shifts of nitrogen-containing heterocycles
    K. A. Chernyshev
    V. A. Semenov
    L. B. Krivdin
    Russian Journal of Organic Chemistry, 2013, 49 : 379 - 383
  • [18] EFFECTS OF STABLE CHLORINE-CONTAINING ORGANICS ON AQUATIC ENVIRONMENTS
    GEHRS, CW
    EYMAN, LD
    JOLLEY, RJ
    THOMPSON, JE
    NATURE, 1974, 249 (5458) : 675 - 676
  • [19] Quantum chemical study of complexation of trimethylaluminum with chlorine-containing solvents
    Vakulin, I. V.
    Zagidullina, A. E.
    Talipov, R. F.
    Vostrikova, O. S.
    JOURNAL OF STRUCTURAL CHEMISTRY, 2006, 47 (06) : 1170 - 1176
  • [20] Quantum chemical study of complexation of trimethylaluminum with chlorine-containing solvents
    I. V. Vakulin
    A. É. Zagidullina
    R. F. Talipov
    O. S. Vostrikova
    Journal of Structural Chemistry, 2006, 47 : 1170 - 1176
12345