The 13 C chemical shift and the anisotropy effect of the carbene electron deficient center − simple means to characterize the electron distribution of carbenes,Magnetic Resonance in Chemistry

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The 13 C chemical shift and the anisotropy effect of the carbene electron deficient center − simple means to characterize the electron distribution of carbenes
Magnetic Resonance in Chemistry ( IF 1.9 ) Pub Date : 2020-01-06 , DOI: 10.1002/mrc.4979
Erich Kleinpeter ₁ , Andreas Koch ₁

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Both the 13C chemical shift and the calculated anisotropy effect (spatial magnetic properties) of the electron‐deficient centre of stable, crystalline, and structurally characterized carbenes have been employed to unequivocally characterize potential resonance contributors to the present mesomerism (carbene, ylide, betaine, and zwitter ion) and to determine quantitatively the electron deficiency of the corresponding carbene carbon atom. Prior to that, both structures and 13C chemical shifts were calculated and compared with the experimental δ(13C)/ppm values and geometry parameters (as a quality criterion for obtained structures).

中文翻译：

卡宾缺电子中心的 13 C 化学位移和各向异性效应——表征卡宾电子分布的简单方法

稳定、结晶和结构特征化的卡宾的缺电子中心的 13C 化学位移和计算出的各向异性效应（空间磁特性）都已被用于明确表征当前介分异构现象的潜在共振贡献者（卡宾、叶立德、甜菜碱、和两性离子）并定量确定相应卡宾碳原子的电子缺陷。在此之前，计算结构和 13C 化学位移，并与实验 δ(13C)/ppm 值和几何参数（作为获得结构的质量标准）进行比较。

更新日期：2020-01-06

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