Abstract
The anisotropy effect in 1H NMR spectroscopy can be readily employed to indicate the position of carbene/betaine mesomeric equilibria. NR2 substituted carbene/betaines tend to adopt betaine structures, whereas in the absence of NR2 substituents, the betaine structures cannot stabilise the structure through both π‐donation effects of the NMe2 groups and the electronegativity of the nitrogen atoms, and the corresponding carbene‐like structures are preferred. These conclusions are supported by calculated bond orders and δ(13C)/ppm values. The spatial magnetic properties of isonitriles and carbon monoxide, which can be counted as stable carbenes or, at least, as carbene‐analogues, also exist as stable betaine structures, which is again supported by structural and magnetic properties.
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