An NHC‐Mediated Metal‐Free Approach towards an NHC‐Coordinated Endocyclic Disilene

Abstract

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 Si10 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.

Document Details

Document Type
Pub Defense Publication
Publication Date
Feb 09, 2022
Source ID
10.1002/open.202100240

Entities

People

  • Anne-Marie Kelterer
  • Cameron Jones
  • Deepak Dange
  • Michael Haas
  • Michael Pillinger
  • Roland Fischer
  • Thomas Lainer

Organizations

  • Air Force Office of Scientific Research
  • Australian Research Council
  • Graz University of Technology
  • Monash University

Tags

Fields of Study

  • Chemistry

Readers

  • Computational Modeling and Simulation
  • Organic Chemistry
  • Quantum Chemistry