Synthesis and characterization of binuclear tantalum hydride complexes
dc.contributor.author | Scioly, Anthony J. | en_US |
dc.contributor.author | Luetkens Jr. , Melvin L. | en_US |
dc.contributor.author | Wilson Jr. , R. B. | en_US |
dc.contributor.author | Huffman, J. C. | en_US |
dc.contributor.author | Sattelberger, Alfred P. | en_US |
dc.date.accessioned | 2006-04-07T20:03:56Z | |
dc.date.available | 2006-04-07T20:03:56Z | |
dc.date.issued | 1987 | en_US |
dc.identifier.citation | Scioly, A. J., LuetkensJr., M. L., WilsonJr., R. B., Huffman, J. C., Sattelberger, A. P. (1987)."Synthesis and characterization of binuclear tantalum hydride complexes." Polyhedron 6(4): 741-757. <http://hdl.handle.net/2027.42/26987> | en_US |
dc.identifier.uri | http://www.sciencedirect.com/science/article/B6TH8-42Y123M-MY/2/012a38d6bcf665af8657ec4ab8212653 | en_US |
dc.identifier.uri | https://hdl.handle.net/2027.42/26987 | |
dc.description.abstract | Reduction of the quadruply-bridged (2Cl, 2H) tantalum(IV) dimer, Ta2Cl6 (PMe3)4H2 (2) with sodium amalgam in glyme or THF at 0[deg]C provides deep green Ta2Cl4(PMe3)4H2 (3) in 70% yield. Dimer 3 has a D2d Ta2Cl4(PMe3)4 substructure which closely resembles that of the quadruply metal-metal-bonded dimer W2Cl4(PMe3)4. The hydride ligands of 3 are located on a diagonal plane, bridging the two tantalum atoms and the Ta-Ta separation is 2.545(1) A. 3 reacts cleanly with Cl2, HCl and H2 in diethyl ether to provide the quadruply-bridged dimers 2, Ta2Cl5(PMe3)4H3 (4), and Ta2Cl4(PMe3)4H4 (5), respectively, in high yield. Dimer 5 can also be prepared in high yield via thermolysis of the tantalum(IV) hydride TaCl2H2(PMe3)4 (6) in refluxing methylcyclohexane. The X-ray structure of 5 shows that the ([mu]-H)4 group is staggered by 45[deg] with respect to the eclipsed pyramidal TaCl2(PMe3)2 end groups. The molecular symmetry of 5 is D2d and the Ta-Ta separation is 2.511(2)A. Multiple-scattering X[alpha] calculations on the model compounds Ta2Cl4(PH3)4H2 and Ta2Cl4(PH3)4 are used to elucidate the ground-state electronic structures of 3 and 5, and to probe the question of ([mu]-H)x rotation about the metal-metal bonds in these complexes. Crystal data (at 160[deg]C) are as follows: for 3, monoclinic space group C2/c, a = 18.371(5) A, b = 9.520(3) A, c = 18.942(6) A, [beta] = 125.36(2)[deg], V = 2701.8 A3, Z = 4,dcalc. = 1.991 g cm-3; for 5, tetragonal space group P4/nbm, a = b = 12.579(2) A, c = 10.205(2) A, V = 1614.7 A3, Z = 2, dcalc. = 1.670 g cm-3. | en_US |
dc.format.extent | 1513010 bytes | |
dc.format.extent | 3118 bytes | |
dc.format.mimetype | application/pdf | |
dc.format.mimetype | text/plain | |
dc.language.iso | en_US | |
dc.publisher | Elsevier | en_US |
dc.title | Synthesis and characterization of binuclear tantalum hydride complexes | en_US |
dc.type | Article | en_US |
dc.rights.robots | IndexNoFollow | en_US |
dc.subject.hlbsecondlevel | Materials Science and Engineering | en_US |
dc.subject.hlbsecondlevel | Chemistry | en_US |
dc.subject.hlbsecondlevel | Chemical Engineering | en_US |
dc.subject.hlbtoplevel | Science | en_US |
dc.subject.hlbtoplevel | Engineering | en_US |
dc.description.peerreviewed | Peer Reviewed | en_US |
dc.contributor.affiliationum | Department of Chemistry, The University of Michigan, Ann Arbor, MI 48109, U.S.A. | en_US |
dc.contributor.affiliationum | Department of Chemistry, The University of Michigan, Ann Arbor, MI 48109, U.S.A. | en_US |
dc.contributor.affiliationum | Department of Chemistry, The University of Michigan, Ann Arbor, MI 48109, U.S.A. | en_US |
dc.contributor.affiliationother | Molecular Structure Center, Indiana University, Bloomington, IN 47405, U.S.A. | en_US |
dc.contributor.affiliationother | Inorganic and Structural Chemistry Group (INC-4), Los Alamos National Laboratory, Los Alamos, NM 87545, U.S.A. | en_US |
dc.description.bitstreamurl | http://deepblue.lib.umich.edu/bitstream/2027.42/26987/1/0000554.pdf | en_US |
dc.identifier.doi | http://dx.doi.org/10.1016/S0277-5387(00)86882-5 | en_US |
dc.identifier.source | Polyhedron | en_US |
dc.owningcollname | Interdisciplinary and Peer-Reviewed |
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