Theoretical and practical aspects of indirect spin–spin couplings

Nuclear Magnetic Resonance(2022)

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摘要
Indirect spin–spin coupling constants (J) are essential parameters in nuclear magnetic resonance (NMR) spectroscopy, indispensable in structure evaluation of organic and bioorganic molecules and analysis of chemical bond character. The present review gathers more important works on measurements, calculations and applications of indirect spin–spin coupling constants published from the end of May 2014 to 31 March 2020. The survey consists of several sections concerning couplings across covalent bonds, couplings across non-covalent bonds such as hydrogen, tetrel, pnicogen, chalcogen, halogen and areogen bonds, through-space couplings, as well couplings in the gas and solid phases. Finally, some works on the relativistic calculations, development of theoretical methods of spin–spin coupling constants calculations and new experimental methods are presented.
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indirect spin–spin
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