Open AccessAn NHC‐Mediated Metal‐Free Approach towards an NHC‐Coordinated Endocyclic Disilene
Author(s) -
Lainer Thomas,
Dange Deepak,
Pillinger Michael,
Fischer Roland C.,
Kelterer AnneMarie,
Jones Cameron,
Haas Michael
Publication year - 2022
Publication title -
chemistryopen
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.644
H-Index - 29
ISSN - 2191-1363
DOI - 10.1002/open.202100240
Subject(s) - carbene , reactivity (psychology) , chemistry , dimer , density functional theory , yield (engineering) , metal , transition metal , photochemistry , crystallography , stereochemistry , computational chemistry , materials science , organic chemistry , catalysis , medicine , alternative medicine , pathology , metallurgy
A convenient metal‐free approach towards an N‐heterocyclic carbene (NHC)‐coordinated disilene 2 is described. Compound 2 , featuring the disilene incorporated in cyclopolysilane framework, was obtained in good yield and characterized using NMR spectroscopy and X‐ray crystallography. Density functional theory (DFT) calculations of the reaction mechanism provide a rationale for the observed reactivity and give detailed information on the bonding situation of the base‐stabilized disilene. Compound 2 undergoes thermal or light‐ induced (λ=456 nm) NHC loss, and a dimerization process to give a corresponding dimer with a Si 10 skeleton. In order to shed light on the dimerization mechanism, DFT calculations were performed. Moreover, the reactivity of 2 was examined with selected examples of transition metal carbonyl compounds.