Nitrenes computational chemistry

A substantial 267-article review covers the theoretical treatment of nitrenes.72 Further reviews address the kinetics, spectroscopy, and computational chemistry of arylnitr-enes73 and the generation of nitrene species catalysed by transition metal complexes.74... 

However, 56 disappears at 11 K with a half-Ufe of 2.46 h, while the deuterated analog is stable. The WKB-computed half-Ufe (using the path computed at MP2/aug-cc-pVDZ and energies at CCSD(T)/cc-pVTZ) of 56 is 3.3 h and 8700 years for d-56. This fast tunneling rate also acconnts for the lack of rearrangement of 56 into the tropone 58, a reaction analogons to the chemistry of phenyl carbene and phenyl nitrene discussed earlier in this chapter (Section 5.2). 

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