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Homocubane Chemistry: Synthesis and Structures of Mono- and Dicobaltaheteroborane Analogues of Tris- and Tetrahomocubanes.

ABSTRACT: Room-temperature reactions between [Cp*CoCl]2 (Cp* = ?5-C5Me5) and large excess of [BH2E3]Li (E = S or Se) led to the formation of homocubane derivatives, 1-7. These species are bimetallic tetrahomocubane, [(Cp*Co)2(?-S)4(?3-S)4B2H2], 1; bimetallic trishomocubane isomers, [(Cp*Co)2(?-S)3(?3-S)4B2H2], 2 and 3; monometallic trishomocubanes, [M(?-E)3(?3-E)4B3H3] [4: M = Cp*Co, E = S; 5: M = Cp*Co, E = Se and 6: M = {(Cp*Co)2(?-H)(?3-Se)2}Co, E = Se], and bimetallic homocubane, [(Cp*Co)2(?-Se)(?3-Se)4B2H2], 7. As per our knowledge, 1 is the first isolated and structurally characterized parent prototype of the 1,2,2',4 isomer of tetrahomocubane, while 3, 4, and 5 are the analogues of parent D 3-trishomocubane. Compounds 2 and 3 are the structural isomers in which the positions of the ?-S ligands in the trishomocubane framework are altered. Compound 6 is an example of a unique vertex-fused trishomocubane derivative, in which the D 3-trishomocubane [Co(?-Se)3(?3-Se)4B3H3] moiety is fused with an exopolyhedral trigonal bipyramid (tbp) moiety [(Cp*Co)2(?-H)(?3-Se)2}Co]. Multinuclear NMR and infrared spectroscopy, mass spectrometry, and single crystal X-ray diffraction analyses were employed to characterize all the compounds in solution. Bonding in these homocubane analogues has been elucidated computationally by density functional theory methods.

SUBMITTER: Pathak K

PROVIDER: S-EPMC6788070 | biostudies-literature | 2019 Oct

REPOSITORIES: biostudies-literature

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Homocubane Chemistry: Synthesis and Structures of Mono- and Dicobaltaheteroborane Analogues of Tris- and Tetrahomocubanes.

Pathak Kriti K Ramalakshmi Rongala R Zafar Mohammad M Bagchi Sukanya S Roisnel Thierry T Ghosh Sundargopal S

ACS omega 20190925 15

Room-temperature reactions between [Cp*CoCl]2 (Cp* = η5-C5Me5) and large excess of [BH2E3]Li (E = S or Se) led to the formation of homocubane derivatives, 1-7. These species are bimetallic tetrahomocubane, [(Cp*Co)2(μ-S)4(μ3-S)4B2H2], 1; bimetallic trishomocubane isomers, [(Cp*Co)2(μ-S)3(μ3-S)4B2H< ...[more]

PMID: 31616847

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Dataset Information

Homocubane Chemistry: Synthesis and Structures of Mono- and Dicobaltaheteroborane Analogues of Tris- and Tetrahomocubanes.

Publications

Homocubane Chemistry: Synthesis and Structures of Mono- and Dicobaltaheteroborane Analogues of Tris- and Tetrahomocubanes.

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