The additivity of NMR isotope shifts
作者： Cynthia J. Jameson , H.‐Jörg Osten
DOI: 10.1063/1.447438
关键词: Homologous series 、 Deuterium 、 Inorganic chemistry 、 Thermodynamics 、 Stable isotope ratio 、 Isotope 、 Spectral line 、 Chemistry 、 NMR spectra database 、 Kinetic isotope effect 、 Triatomic molecule
摘要: One of the most interesting and useful aspects isotope effect on nuclear magnetic shielding is proportionality shift to number substituted atoms in equivalent positions. In this paper we show quantitative basis for additivity shifts NMR, using CX4−nYn (X,Y=H,D,T) system linear triatomic systems CO2, NNO, OCS as examples. We also predict small deviations from find that these are consistent with those observed 14N NH4−nD+n homologous series. Furthermore, determine mass dependence one‐bond shift.
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