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Computational liquid-phase and solid-state 29Si NMR
Russian Chemical Reviews ( IF 7.7 ) Pub Date : 2020-03-31 , DOI: 10.1070/rcr4927
Leonid B. Krivdin 1, 2
Affiliation  

This review focuses on the computational aspects of 29Si NMR chemical shifts and spin – spin coupling constants involving the 29Si nucleus. It concentrates on the electronic and stereochemical effects manifesting in these parameters, calculated at different levels of theory with a special emphasis on their practical applications. For 29Si NMR chemical shifts, a good deal of interest is focused on the less common solid state studies, in addition to more popular liquid state data. For spin – spin coupling constants, the main interest is concentrated on the mostly common 29Si – 1H and 29Si – 13C couplings. The review is written in memory of the Full Member of the Russian Academy of Sciences, Professor Mikhail G. Voronkov in view of his invaluable contribution to the field of organosilicon chemistry and 29Si NMR.

The bibliography includes 93 references.



中文翻译:

计算液相和固态 29Si NMR

本综述重点关注29 Si NMR 化学位移和涉及29 Si 核的自旋-自旋耦合常数的计算方面。它专注于在这些参数中体现的电子和立体化学效应,在不同的理论水平上进行计算,特别强调它们的实际应用。对于29 Si NMR 化学位移,除了更流行的液态数据外,人们还非常关注不太常见的固态研究。对于自旋-自旋耦合常数,主要兴趣集中在最常见的29 Si – 1 H 和29 Si – 13C 联轴器。这篇评论是为了纪念俄罗斯科学院正式成员 Mikhail G. Voronkov 教授,鉴于他对有机硅化学和29 Si NMR 领域的宝贵贡献。

参考书目包括 93 篇参考文献。

更新日期:2020-03-31
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