Preparation and Full Characterization of a Tetrahydride-bis(stannyl)-osmium(VI) Derivative

Miguel A. Esteruelas; Agustí Lledós; Olivier Maresca; Montserrat Oliván; Enrique Oñate; María A. Tajada

doi:10.1021/om034258k

Preparation and Full Characterization of a Tetrahydride-bis(stannyl)-osmium(VI) Derivative

Miguel A. Esteruelas, Agustí Lledós, Olivier Maresca, Montserrat Oliván, Enrique Oñate, María A. Tajada

Department of Chemistry

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

14 Citations (Scopus)

Abstract

The dihydride-dichloro complex OsH2Cl2-(P iPr3)2 (1) reacts with 4.0 equiv of HSnPh 3 to afford 2.0 equiv of ClSnPh3 and the tetrahydride-bis(stannyl)-osmium(VI) derivative OsH4(SnPh 3)2(PiPr3)2 (2), which has been characterized by X-ray diffraction analysis. DFT calculations in a model system of 2, in which the bulky ligands have been replaced by small models, followed by QM/MM optimizations with the real ligands have allowed the complete determination of the hydride positions and the role played by the steric effects on the experimental structure.

Original language	English
Pages (from-to)	1453-1456
Journal	Organometallics
Volume	23
Issue number	6
DOIs	https://doi.org/10.1021/om034258k
Publication status	Published - 15 Mar 2004

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title = "Preparation and Full Characterization of a Tetrahydride-bis(stannyl)-osmium(VI) Derivative",

abstract = "The dihydride-dichloro complex OsH2Cl2-(P iPr3)2 (1) reacts with 4.0 equiv of HSnPh 3 to afford 2.0 equiv of ClSnPh3 and the tetrahydride-bis(stannyl)-osmium(VI) derivative OsH4(SnPh 3)2(PiPr3)2 (2), which has been characterized by X-ray diffraction analysis. DFT calculations in a model system of 2, in which the bulky ligands have been replaced by small models, followed by QM/MM optimizations with the real ligands have allowed the complete determination of the hydride positions and the role played by the steric effects on the experimental structure.",

author = "Esteruelas, {Miguel A.} and Agust{\'i} Lled{\'o}s and Olivier Maresca and Montserrat Oliv{\'a}n and Enrique O{\~n}ate and Tajada, {Mar{\'i}a A.}",

year = "2004",

month = mar,

day = "15",

doi = "10.1021/om034258k",

language = "English",

volume = "23",

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T1 - Preparation and Full Characterization of a Tetrahydride-bis(stannyl)-osmium(VI) Derivative

AU - Esteruelas, Miguel A.

AU - Lledós, Agustí

AU - Maresca, Olivier

AU - Oliván, Montserrat

AU - Oñate, Enrique

AU - Tajada, María A.

PY - 2004/3/15

Y1 - 2004/3/15

N2 - The dihydride-dichloro complex OsH2Cl2-(P iPr3)2 (1) reacts with 4.0 equiv of HSnPh 3 to afford 2.0 equiv of ClSnPh3 and the tetrahydride-bis(stannyl)-osmium(VI) derivative OsH4(SnPh 3)2(PiPr3)2 (2), which has been characterized by X-ray diffraction analysis. DFT calculations in a model system of 2, in which the bulky ligands have been replaced by small models, followed by QM/MM optimizations with the real ligands have allowed the complete determination of the hydride positions and the role played by the steric effects on the experimental structure.

AB - The dihydride-dichloro complex OsH2Cl2-(P iPr3)2 (1) reacts with 4.0 equiv of HSnPh 3 to afford 2.0 equiv of ClSnPh3 and the tetrahydride-bis(stannyl)-osmium(VI) derivative OsH4(SnPh 3)2(PiPr3)2 (2), which has been characterized by X-ray diffraction analysis. DFT calculations in a model system of 2, in which the bulky ligands have been replaced by small models, followed by QM/MM optimizations with the real ligands have allowed the complete determination of the hydride positions and the role played by the steric effects on the experimental structure.

U2 - 10.1021/om034258k

DO - 10.1021/om034258k

M3 - Article

VL - 23

SP - 1453

EP - 1456

JO - Organometallics

JF - Organometallics

SN - 0276-7333

IS - 6

ER -