A.E. Favorsky Irkutsk Institute of Chemistry, Siberian Branch of the Russian Academy of Sciences, Favorsky St. 1, 664033 Irkutsk, Russia.
Prog Nucl Magn Reson Spectrosc. 2018 Oct;108:17-73. doi: 10.1016/j.pnmrs.2018.10.002. Epub 2018 Oct 13.
Structural applications of theoretical calculations of carbon-hydrogen spin-spin coupling constants are reviewed covering papers published mainly during the last 10-15 years with a special emphasis on the most notable studies of hybridization, substitution and stereoelectronic effects together with the investigation of hydrogen bonding and intermolecular interactions. The wide scope of different applications of calculated carbon-hydrogen couplings in the structural elucidation of particular classes of organic and bioorganic molecules is reviewed, concentrating mainly on saturated, unsaturated, aromatic and heteroaromatic compounds and their functional derivatives, as well as on natural compounds and carbohydrates. The review is dedicated to Professor Emeritus Michael Barfield in view of his invaluable pioneering contribution to this field.
理论计算碳氢键自旋-自旋耦合常数在结构中的应用综述，涵盖了主要在过去 10-15 年发表的论文，特别强调了杂化、取代和立体电子效应以及氢键和分子间相互作用的最显著研究。综述了计算碳氢键耦合在特定类有机和生物有机分子结构阐明中的不同应用的广泛范围，主要集中在饱和、不饱和、芳香族和杂芳香族化合物及其官能衍生物，以及天然化合物和碳水化合物。鉴于迈克尔·巴菲尔德教授在该领域的开创性贡献，这篇综述是献给他的。
