Nature of the Rh-H2 Bond in a Dihydrogen Complex Stabilized only by Nitrogen Donors. Inelastic Neutron Scattering Study of TpMe2RhH2 (η2H2 ) (TpMe2 = Hydrotris(3,5-dimethylpyrazolyl)borate)

Juergen Eckert; Alberto Albinati; Urs E. Bucher; Luigi M. Venanzi

doi:10.1021/ic950452q

Nature of the Rh-H₂ Bond in a Dihydrogen Complex Stabilized only by Nitrogen Donors. Inelastic Neutron Scattering Study of Tp^Me2RhH₂ (η²H₂ ) (Tp^Me2 = Hydrotris(3,5-dimethylpyrazolyl)borate)

Juergen Eckert, Alberto Albinati, Urs E. Bucher, Luigi M. Venanzi

Chemistry and Biochemistry

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Abstract

The tunnel splitting of the librational ground state and the torsional frequencies of the dihydrogen ligand in Tp^Me2:RhH₂ (η²-H₂ ) (Tp^Me2 = hydrotris(3,5-dimethylpyrazolyl)borate) were measured using inelastic neutron scattering spectroscopy. The barrier for the rotation of the H₂ ligand and its H-H separation, calculated from these data, are 0.56(2) kcal/mol and 0.94 Å, respectively. These values indicate that π-back-donation from the Tp^Me2RhH₂ fragment to H₂ is relatively weak and/or the interaction between the coordinated dihydrogen molecule and the two cis-hydride ligands significantly lowers the barner for H₂ rotation.

Original language	English
Pages (from-to)	1292-1294
Number of pages	3
Journal	Inorganic Chemistry
Volume	35
Issue number	5
DOIs	https://doi.org/10.1021/ic950452q
State	Published - 1996

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@article{909ade6c29364b66a32a74f05b06d346,

title = "Nature of the Rh-H2 Bond in a Dihydrogen Complex Stabilized only by Nitrogen Donors. Inelastic Neutron Scattering Study of TpMe2RhH2 (η2H2 ) (TpMe2 = Hydrotris(3,5-dimethylpyrazolyl)borate)",

abstract = "The tunnel splitting of the librational ground state and the torsional frequencies of the dihydrogen ligand in TpMe2:RhH2 (η2-H2 ) (TpMe2 = hydrotris(3,5-dimethylpyrazolyl)borate) were measured using inelastic neutron scattering spectroscopy. The barrier for the rotation of the H2 ligand and its H-H separation, calculated from these data, are 0.56(2) kcal/mol and 0.94 {\AA}, respectively. These values indicate that π-back-donation from the TpMe2RhH2 fragment to H2 is relatively weak and/or the interaction between the coordinated dihydrogen molecule and the two cis-hydride ligands significantly lowers the barner for H2 rotation.",

author = "Juergen Eckert and Alberto Albinati and Bucher, {Urs E.} and Venanzi, {Luigi M.}",

year = "1996",

doi = "10.1021/ic950452q",

language = "English",

volume = "35",

pages = "1292--1294",

journal = "Inorganic Chemistry",

issn = "0020-1669",

publisher = "American Chemical Society",

number = "5",

}

Nature of the Rh-H₂ Bond in a Dihydrogen Complex Stabilized only by Nitrogen Donors. Inelastic Neutron Scattering Study of Tp^Me2RhH₂ (η²H₂ ) (Tp^Me2 = Hydrotris(3,5-dimethylpyrazolyl)borate). / Eckert, Juergen; Albinati, Alberto; Bucher, Urs E. et al.
In: Inorganic Chemistry, Vol. 35, No. 5, 1996, p. 1292-1294.

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

TY - JOUR

T1 - Nature of the Rh-H2 Bond in a Dihydrogen Complex Stabilized only by Nitrogen Donors. Inelastic Neutron Scattering Study of TpMe2RhH2 (η2H2 ) (TpMe2 = Hydrotris(3,5-dimethylpyrazolyl)borate)

AU - Eckert, Juergen

AU - Albinati, Alberto

AU - Bucher, Urs E.

AU - Venanzi, Luigi M.

PY - 1996

Y1 - 1996

N2 - The tunnel splitting of the librational ground state and the torsional frequencies of the dihydrogen ligand in TpMe2:RhH2 (η2-H2 ) (TpMe2 = hydrotris(3,5-dimethylpyrazolyl)borate) were measured using inelastic neutron scattering spectroscopy. The barrier for the rotation of the H2 ligand and its H-H separation, calculated from these data, are 0.56(2) kcal/mol and 0.94 Å, respectively. These values indicate that π-back-donation from the TpMe2RhH2 fragment to H2 is relatively weak and/or the interaction between the coordinated dihydrogen molecule and the two cis-hydride ligands significantly lowers the barner for H2 rotation.

AB - The tunnel splitting of the librational ground state and the torsional frequencies of the dihydrogen ligand in TpMe2:RhH2 (η2-H2 ) (TpMe2 = hydrotris(3,5-dimethylpyrazolyl)borate) were measured using inelastic neutron scattering spectroscopy. The barrier for the rotation of the H2 ligand and its H-H separation, calculated from these data, are 0.56(2) kcal/mol and 0.94 Å, respectively. These values indicate that π-back-donation from the TpMe2RhH2 fragment to H2 is relatively weak and/or the interaction between the coordinated dihydrogen molecule and the two cis-hydride ligands significantly lowers the barner for H2 rotation.

UR - http://www.scopus.com/inward/record.url?scp=0001441117&partnerID=8YFLogxK

U2 - 10.1021/ic950452q

DO - 10.1021/ic950452q

M3 - Article

AN - SCOPUS:0001441117

SN - 0020-1669

VL - 35

SP - 1292

EP - 1294

JO - Inorganic Chemistry

JF - Inorganic Chemistry

IS - 5

ER -

Nature of the Rh-H₂ Bond in a Dihydrogen Complex Stabilized only by Nitrogen Donors. Inelastic Neutron Scattering Study of Tp^Me2RhH₂ (η²H₂ ) (Tp^Me2 = Hydrotris(3,5-dimethylpyrazolyl)borate)

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