We thank La Trobe University for funding of this work. The authors acknowledge support from the National Computational Infrastructure National Facility (NCI-NF), Victorian Partnership for Advanced Computing (VPAC), Victorian Life Science Computing Initiative (VLSCI), and the high-performance computing facility of La Trobe University.
Lewis Base Stabilized Dicarbon: Predictions from Theory†
Article first published online: 3 JAN 2012
Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
Angewandte Chemie International Edition
Volume 51, Issue 6, pages 1477–1480, February 6, 2012
How to Cite
Dutton, J. L. and Wilson, D. J. D. (2012), Lewis Base Stabilized Dicarbon: Predictions from Theory. Angew. Chem. Int. Ed., 51: 1477–1480. doi: 10.1002/anie.201107815
- Issue published online: 1 FEB 2012
- Article first published online: 3 JAN 2012
- Manuscript Received: 7 NOV 2011
- La Trobe University
- N-heterocyclic carbenes;
- super bases;
- theoretical chemistry
New C-based ligands? Inspired by recent work on main group allotropes, a theoretical examination of Lewis base (NHC, phosphine) stabilized dicarbon has been carried out. The results indicate that the phosphine and NHC adducts of C2 have significantly different electronic structures and that both types of molecules should be powerful, bifunctional carbon-based ligands.