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

doi:10.1021/om2001519

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

Chemistry and Biochemistry

Research output: Contribution to journal › Article › peer-review

54 Scopus citations

Abstract

Several different pK_a 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 pK_a, bond dissociation enthalpy, bond dissociation free energy, and hydricity of FpH have been measured. The pK_a 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 language	English (US)
Pages (from-to)	3444-3447
Number of pages	4
Journal	Organometallics
Volume	30
Issue number	12
DOIs	https://doi.org/10.1021/om2001519
State	Published - Jun 27 2011

ASJC Scopus subject areas

Physical and Theoretical Chemistry
Organic Chemistry
Inorganic Chemistry

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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.",

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T1 - Thermodynamics of the metal-hydrogen bonds in (η5-C 5H5)M(CO)2H (M = Fe, Ru, Os)

AU - Estes, Deven P.

AU - Vannucci, Aaron K.

AU - Hall, Ariel R.

AU - Lichtenberger, Dennis L.

AU - Norton, Jack R.

PY - 2011/6/27

Y1 - 2011/6/27

N2 - 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.

AB - 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.

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

Abstract

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