[(C<inf>5</inf>H<inf>4</inf> MeEt)Ir(PPh<inf>3</inf>)<inf>2</inf> ] <sup>+</sup>: An agostic C-C bond or a close metal-ligand contact?

Feliu Maseras, Robert H. Crabtree

Research output: Contribution to journalArticleResearchpeer-review

14 Citations (Scopus)

Abstract

DFT calculations and orbital arguments show that the short M⋯C distances in the title 1,1-methylethylcyclopentadiene complex are best explained as short nonbonding contacts rather than as examples of C-C agostic bonding, as previously suggested. © 2003 Elsevier B.V. All rights reserved.
Original languageEnglish
Pages (from-to)345-346
JournalInorganica Chimica Acta
Volume357
Issue number1
DOIs
Publication statusPublished - 9 Jan 2004

Keywords

  • Agostic bonding
  • C-C agostic
  • DFT calculations

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