Thermodynamics of the metal-hydrogen bonds in (η5-C 5H5)M(CO)2H (M = Fe, Ru, Os)

Deven P. Estes, Aaron K. Vannucci, Ariel R. Hall, Dennis L. Lichtenberger, Jack R. Norton

Research output: Contribution to journalArticle

40 Scopus citations

Abstract

Several different pKa values for the complex (η5-C5H5)Fe(CO)2H (FpH) in acetonitrile are present in the literature, ranging over 7 orders of magnitude. As a result, the energy of its Fe-H bond is also in dispute, making it difficult to predict the reactivity of this complex. The pKa, bond dissociation enthalpy, bond dissociation free energy, and hydricity of FpH have been measured. The pKa values of analogous group 8 hydrides have been determined, and the energies of the M-H bonds and the hydricity of FpH have been established.

Original languageEnglish (US)
Pages (from-to)3444-3447
Number of pages4
JournalOrganometallics
Volume30
Issue number12
DOIs
StatePublished - Jun 27 2011

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Organic Chemistry
  • Inorganic Chemistry

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