Analyzing and interpreting NMR spin-spin coupling constants using molecular orbital calculations

被引:67
|
作者
Autschbach, Jochen [1 ]
Le Guennic, Boris [1 ]
机构
[1] SUNY Buffalo, Dept Chem, Buffalo, NY 14260 USA
关键词
D O I
10.1021/ed084p156
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
[No abstract available]
引用
收藏
页码:156 / 171
页数:16
相关论文
共 50 条
  • [41] Shielding and spin-spin coupling constants from gas-phase NMR
    K. Jackowski
    Applied Magnetic Resonance, 2003, 24 : 379 - 385
  • [42] NMR spin-spin coupling constants in hydrogen-bonded glycine clusters
    Chaudhuri, Puspitapallab
    Canuto, Sylvio
    Provasi, Patricio F.
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2018, 118 (15) : 1
  • [43] Hidden symmetry in Fermi-contact NMR spin-spin coupling constants
    Perera, S. Ajith
    Bartlett, Rodney J.
    MOLECULAR PHYSICS, 2007, 105 (13-14) : 2011 - 2011
  • [44] Hidden symmetry in Fermi-contact NMR spin-spin coupling constants
    Perera, S. Ajith
    Bartlett, Rodney J.
    MOLECULAR PHYSICS, 2006, 104 (13-14) : 2403 - 2411
  • [45] NMR spin-spin coupling constants in microhydrated ortho-aminobenzoic acid
    Ghosh, Angsula
    Chaudhuri, Puspitapallab
    MOLECULAR PHYSICS, 2015, 113 (05) : 497 - 507
  • [46] Analysis of the NMR Parameters Shielding and Spin-Spin Coupling Constants of Glycine Conformers
    Valverde, Danillo
    Georg, Herbert C.
    Pagola, Gabriel I.
    Provasi, Patricio F.
    JOURNAL OF PHYSICAL CHEMISTRY A, 2025, 129 (03): : 686 - 694
  • [47] ADDITIVITY OF NMR CARBON-CARBON SPIN-SPIN COUPLING-CONSTANTS
    MARSHALL, JL
    FAEHL, LG
    KATTNER, R
    ORGANIC MAGNETIC RESONANCE, 1979, 12 (03): : 163 - 168
  • [48] DFT calculation of NMR JFF spin-spin coupling constants in fluorinated pyridines
    Barone, V
    Peralta, JE
    Contreras, RH
    Snyder, JP
    JOURNAL OF PHYSICAL CHEMISTRY A, 2002, 106 (23): : 5607 - 5612
  • [49] Shielding and spin-spin coupling constants from gas-phase NMR
    Jackowski, K
    APPLIED MAGNETIC RESONANCE, 2003, 24 (3-4) : 379 - 385
  • [50] PROTON SPIN-SPIN COUPLING CONSTANTS FROM NMR SPECTRA OF PARAMAGNETIC MOLECULES
    EATON, DR
    JOSEY, AD
    BENSON, RE
    PHILLIPS, WD
    JOURNAL OF CHEMICAL PHYSICS, 1963, 39 (12): : 3513 - &