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Volumn 47, Issue 1, 2008, Pages 219-229

Very large difference in electronic communication of dimetal species with heterobiphenylene and heteroanthracene units

Author keywords

[No Author keywords available]

Indexed keywords

ANTHRACENE DERIVATIVE; BIPHENYL DERIVATIVE; MOLYBDENUM; ORGANOMETALLIC COMPOUND;

EID: 38749137426     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic701937c     Document Type: Article
Times cited : (24)

References (133)
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    • It should be noted that benzoquinonemonoimine species with single metal units were first made by Braunstein et al. and have attracted great attention because they are antiaromatic, having 6π, 6π electrons. For example, see: (a) Siri, O, Braunstein, P, Rohmer, M.-M, Bénard Welter, M. R. J. Am. Chem. Soc. 2003, 125, 13793
    • It should be noted that benzoquinonemonoimine species with single metal units were first made by Braunstein et al. and have attracted great attention because they are antiaromatic, having 6π + 6π electrons. For example, see: (a) Siri, O.; Braunstein, P.; Rohmer, M.-M.; Bénard Welter, M. R. J. Am. Chem. Soc. 2003, 125, 13793.
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    • There have been suggestions that this ligand may potentially bind to transition metal ions as a bis-bidentate linker, and at least a magnetic study has been reported on a nickel species that has been claimed to be a dinuclear species. However, it should be noted that this compound has not been structurally characterized. See: Duggan, D. M, Barefield, E. K, Hendrickson, D. N. Inorg. Chem. 1973, 12, 985
    • There have been suggestions that this ligand may potentially bind to transition metal ions as a bis-bidentate linker, and at least a magnetic study has been reported on a nickel species that has been claimed to be a dinuclear species. However, it should be noted that this compound has not been structurally characterized. See: Duggan, D. M.; Barefield, E. K.; Hendrickson, D. N. Inorg. Chem. 1973, 12, 985.
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    • Crystal data for [Mo2(DAniF)3]2(C 4O4)·2{[Mo2(DAniF)3] 2(C4O4, TFPB, triclinic, space group P1, a, 18.383(2) Å, b, 19.175(2) Å, c, 30.077(4) Å, α, 106.233(6)°, β, 96.206(7)°, γ, 109.366-(7)°, V, 9365(2) Å3, Z, 1, R value [I > 2σ] R1, 0.138. In the asymmetric unit, there is a half moiety of the neutral compound 1 and an entire molecule of the singly oxidized compound, Mo2(DAniF)3] 2C4O4, TFPB, The quality of the diffraction data for this crystal was insufficient for a detailed structural analysis. However, in the singly oxidized species, the analysis unambiguously shows the existence of molecular pairs composed of two [Mo2] units and a squarate dianion. The
    • 2] unit in the timescale of X-ray analysis.
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    • It should be noted that caution should be used especially when non-innocent linkers are present in the compounds under study. This is why interpretation should always be accompanied by analysis of additional data such as those from structural, spectroscopic, or magnetic studies
    • It should be noted that caution should be used especially when non-innocent linkers are present in the compounds under study. This is why interpretation should always be accompanied by analysis of additional data such as those from structural, spectroscopic, or magnetic studies.
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    • This again shows the importance of using data from various experimental techniques to ascertain whether a species is electronically localized or delocalized. See ref 30
    • This again shows the importance of using data from various experimental techniques to ascertain whether a species is electronically localized or delocalized. See ref 30.
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    • +. See: (a) Cotton, F. A.; Li, Z.; Liu, C. Y.; Murillo, C. A. Inorg. Chem. 2006, 45, 9765.
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    • A similar expression, JY, DFTE BS, DFTET′, 〈S 2〉T _ 〈S2〉BS, has also been reported by Yamaguchi et al, where ET′ is the triplet energy in the unrestricted formalism using the BS orbitals. The BS calculations give a JY value of -252 cm-1, quite different from the JGND which are usually used in the systems with relatively large orbital overlap. See: (a) Yamaguchi, K, Takahara, Y, Fueno, T, Nasu, K. Jpn. J. Appl. Phys. 1987, 26, L1362
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    • Metal and linker character in α and β HOMOs are 64.70% and 11.97%, respectively.
    • Metal and linker character in α and β HOMOs are 64.70% and 11.97%, respectively.
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