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Title: Tungsten-tungsten triple bond. 10. Ditungsten hexapivalate

Journal Article · · Inorg. Chem.; (United States)
DOI:https://doi.org/10.1021/ic00214a025· OSTI ID:6213074

Hydrocarbon solutions of W/sub 2/(O-t-Bu)/sub 6/ react with pivalic acid, t-BuCOOH (6 equiv), to give W/sub 2/(O/sub 2/C-t-Bu)/sub 6/ and t-BuOH. W/sub 2/(O/sub 2/C-t-Bu)/sub 6/ crystallizes from hexane as yellow cubic crystals. (Crystal data at -156/sup 0/C: a = 16.730 (5) A, b = 10.588 (2) A, c = 22.860 (8) A, ..beta.. = 107.26 (1)/sup 0/, Z = 4, d/sub calcd/ = 1.674 g cm/sup -3/, space group = P2/sub 1//c.) Each tungsten atom is coordinated to five oxygen atoms that lie roughly in a pentagonal plane, to the other tungsten atom by a W identical with W bond (2.292 (1) A), and weakly to an additional oxygen atom along an extension of the W-W axis (W-O (axial) = 2.54 A (averaged)). The molecule has a pair of cis-bridging pivalate groups that impose a near-eclipsed geometry for the two WO/sub 5/ pentagonal units. /sup 1/H NMR studies reveal that in toluene-d/sub 8/ solution W/sub 2/(O/sub 2/C-t-Bu)/sub 6/ exists as a mixture of two isomers, each having a C/sub 2/ axis of symmetry. These observations are compared with previous findings and in particular with those for W/sub 2/(O/sub 2/CNMe/sub 2/)/sub 6/. It is proposed that most, if not all, compounds of formula W/sub 2/(O/sub 2/CX)/sub 6/ will adopt a structure related to either W/sub 2/(O/sub 2/C-t-Bu)/sub 6/ or W/sub 2/(O/sub 2/CNMe/sub 2/)/sub 6/, which are closely related, differing only in the arrangement of the chelate ligands about a common W/sub 2/O/sub 10/O'/sub 2/ template. 15 references, 2 figures, 4 tables.

Research Organization:
Indiana Univ., Bloomington
OSTI ID:
6213074
Journal Information:
Inorg. Chem.; (United States), Vol. 24:20
Country of Publication:
United States
Language:
English