Heterocyclopentanediyls vs Heterocyclopentadienes: A Question of Silyl Group Migration

J Org Chem. 2020 Nov 20;85(22):14435-14445. doi: 10.1021/acs.joc.0c00460. Epub 2020 May 29.

Abstract

The reaction of the singlet biradical [P(μ-NHyp)]2 (Hyp = hypersilyl, (Me3Si)3Si) with different isonitriles afforded a series of five-membered N2P2C heterocycles. Depending on the steric bulk of the substituent at the isonitrile, migration of a Hyp group was observed, resulting in two structurally similar but electronically very different isomers. As evidenced by comprehensive spectroscopic and theoretical studies, the heterocyclopentadiene isomer may be regarded as a rather unreactive closed-shell singlet species with one localized N═P and one C═P double bond, whereas the heterocyclopentanediyl isomer represents an open-shell singlet biradical with interesting photochemical properties, such as photoisomerization under irradiation with red light to a [2.1.0]-housane-type species.