Carbonyl displacement reactions of (C sub 5 Me sub 5 )TaCl sub 2 (CO) sub 2 (THF). Structures of (C sub 5 Me sub 5 )TaCl sub 2 (CO) sub 2 (THF), (C sub 5 Me sub 5 )TaCl sub 2 (CO)(dmpe), and (C sub 5 Me sub 5 )TaCl sub 2 (methyl acrylate)

Kwon, D; Curtis, M D

doi:10.1021/om00115a001

Carbonyl displacement reactions of (C sub 5 Me sub 5 )TaCl sub 2 (CO) sub 2 (THF). Structures of (C sub 5 Me sub 5 )TaCl sub 2 (CO) sub 2 (THF), (C sub 5 Me sub 5 )TaCl sub 2 (CO)(dmpe), and (C sub 5 Me sub 5 )TaCl sub 2 (methyl acrylate)

Journal Article · Sun Dec 31 23:00:00 EST 1989 · Organometallics; (USA)

DOI:https://doi.org/10.1021/om00115a001· OSTI ID:6661728

Kwon, D; Curtis, M D ^[1]

Univ. of Michigan, Ann Arbor (USA)

The synthesis and X-ray crystal structure of (C{sub 5}Me{sub 5})TaCl{sub 2}(CO){sub 2}(THF) (1) have been studied. Complex 1 is prepared from the reduction of (C{sub 5}Me{sub 5})TaCl{sub 4} by Al/HgCl{sub 2} under CO atmosphere and crystallizes in the orthorhombic space group Pbn2{sub 1} with a = 9.152 (4) {angstrom}, b = 14.480 (7) {angstrom}, c = 13.738 (6) {angstrom}, V = 1,821 (1) {angstrom}{sup 3}, and Z = 4. Least-squares refinement converged at R = 0.039 and R{sub w} = 0.036 based on 1,777 reflections with I > 3{sigma}(I). Compound 1 reacts with dmpe to yield the complex (C{sub 5}Me{sub 5})TaCl{sub 2}(CO)(dmpe) (3) in 80% yield. Compound 3 was characterized by a single-crystal X-ray diffraction analysis: space group P2{sub 1}/n; Z = 4; a = 9.463 (6) {angstrom}, b = 15.453 (7) {angstrom}, c = 14.713 (10) {angstrom}; V = 2,121 (2) {angstrom}{sup 3}; R = 0.055 and R{sub w} = 0.053 based on 2,425 reflections with I > 3{sigma}(I). When allowed to react with methyl acrylate, compound 1 loses two COs to form (C{sub 5}Me{sub 5})TaCl{sub 2}(methyl acrylate) (6) in 85% yield. Compound 6 was structurally characterized: space group Pbca; Z = 8; a = 14.704 (4) {angstrom}, b = 15.694 (2) {angstrom}, c = 14.289 (4) {angstrom}; V = 3,298 (1) {angstrom}{sup 3}; R = 0.035 and R{sub w} = 0.032 based on 1,412 reflections with I > 3{sigma}(I).

OSTI ID:: 6661728

Journal Information:: Organometallics; (USA), Journal Name: Organometallics; (USA) Vol. 9:1; ISSN 0276-7333; ISSN ORGND

Country of Publication:: United States

Language:: English

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400200* -- Inorganic
Organic
& Physical Chemistry
CARBONYLS
CHLORIDES
CHLORINE COMPOUNDS
CRYSTAL STRUCTURE
DATA
DATA ANALYSIS
EXPERIMENTAL DATA
HALIDES
HALOGEN COMPOUNDS
INFORMATION
MEASURING INSTRUMENTS
MEASURING METHODS
NUMERICAL DATA
ORGANIC COMPOUNDS
ORGANOMETALLIC COMPOUNDS
REFRACTORY METAL COMPOUNDS
SYNTHESIS
TANTALUM CHLORIDES
TANTALUM COMPOUNDS
TRANSITION ELEMENT COMPOUNDS

Carbonyl displacement reactions of (C sub 5 Me sub 5 )TaCl sub 2 (CO) sub 2 (THF). Structures of (C sub 5 Me sub 5 )TaCl sub 2 (CO) sub 2 (THF), (C sub 5 Me sub 5 )TaCl sub 2 (CO)(dmpe), and (C sub 5 Me sub 5 )TaCl sub 2 (methyl acrylate)

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