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Title: Oxo-hydrido and imido-hydrido derivatives of permethyltantalocene. Structures of (. eta. sup 5 -C sub 5 Me sub 5 ) sub 2 Ta( double bond O)H and (. eta. sup 5 -C sub 5 Me sub 5 ) sub 2 Ta( double bond NC sub 6 H sub 5 )H: Doubly or triply bonded tantalum oxo and imido ligands

Journal Article · · Inorganic Chemistry; (United States)
DOI:https://doi.org/10.1021/ic00027a016· OSTI ID:7227208
; ; ; ; ; ; ; ; ;  [1]
  1. California Inst. of Tech., Pasadena (United States)
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The syntheses of the complexes Cp*{sub 2}Ta({double bond}O)H, Cp*{sub 2}Ta({double bond}NH)H and Cp*{sub 2}Ta({double bond}NC{sub 6}H{sub 5})H and the solid-state structures for Cp*{sub 2}Ta({double bond}O)H and Cp*{sub 2}Ta({double bond}NC{sub 6}H{sub 5})H are reported (Cp* = ({eta}{sup 5}-C{sub 5}Me{sub 5})). These are formally 18-electron complexes with the oxo or imido ligands donating only one {pi}-electron pair to tantalum. Since these ligands commonly donate both {pi}-electron pairs (i.e. they triply bond) to transition-metal centers, at issue are the Ta-O and Ta-N bond orders. Cp*{sub 2}Ta({double bond}NC{sub 6}H{sub 5})H crystallizes in the monoclinic space group. The solid-state structure reveals a linear Ta-N-C unit for Cp*{sub 2}Ta({double bond}NC{sub 6}H{sub 5})H. This feature is accommodated on both steric and electronic grounds. Cp*{sub 2}Ta({double bond}O)H crystallizes in the monoclinic space group. The Ta-N and Ta-O bond distances are intermediate between the values expected for double and triple bonds, and the {nu}(Ta-O) for Cp*{sub 2}Ta({double bond}O)H is considerably less than that for other metal oxo compounds. Thus, the tantalum-nitrogen and tantalum-oxygen bond orders for these two compounds are anomalously low.

DOE Contract Number:
FG03-85ER13431
OSTI ID:
7227208
Journal Information:
Inorganic Chemistry; (United States), Vol. 31:1; ISSN 0020-1669
Country of Publication:
United States
Language:
English

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Related Subjects

37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
01 COAL, LIGNITE, AND PEAT
02 PETROLEUM
TANTALUM COMPLEXES
CHEMICAL PREPARATION
MOLECULAR STRUCTURE
BOND LENGTHS
CATALYSTS
CHEMICAL REACTION KINETICS
CRYSTAL STRUCTURE
DENITRIFICATION
DESULFURIZATION
DOUBLE BONDS
LIGANDS
MONOCLINIC LATTICES
X-RAY DIFFRACTION
CHEMICAL BONDS
CHEMICAL REACTIONS
COHERENT SCATTERING
COMPLEXES
CRYSTAL LATTICES
DIFFRACTION
DIMENSIONS
KINETICS
LENGTH
REACTION KINETICS
SCATTERING
SYNTHESIS
TRANSITION ELEMENT COMPLEXES
400201* - Chemical & Physicochemical Properties
010402 - Coal
Lignite
& Peat- Purification & Upgrading
020400 - Petroleum- Processing