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Iron sandwiched between group 13 analogues of N-Heterocyclic carbene: A theoretical investigation
A BORUAH, M P BORPUZARI, , R KAR
Published in Elsevier B.V.
2018
Volume: 863
   
Pages: 54 - 59
Abstract
The present article discusses a theoretical possibility of a novel class of sandwiched organometallic compounds based on the group 13 analogues of N-Heterocyclic carbene. The structure, stability and bonding pattern of the Fe(NHE)2 complexes (where E = B, Al and Ga) have been studied using density functional theory. The bond dissociation energy and binding energy are comparable with ferrocene. In addition, the topological study of the electron density describes the partial covalent interaction of the ligands with the metal atom. The synthetic possibility of such complexes with bulky substituent at the nitrogen center are addressed as well. © 2018 Elsevier B.V.
About the journal
JournalData powered by TypesetJournal of Organometallic Chemistry
PublisherData powered by TypesetElsevier B.V.
ISSN0022-328X