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• W2019928372 abstract "The electronic structure of the triple-decked metallocarborane complexes 1,7,2,3- and 1,7,2,4-(η5-C5H5)2Co2C2B3H5 has been examined via 11B and 1H pulse Fourier transform nuclear magnetic resonance spectroscopy of a series of derivatives containing substituents on the central (C2B3H54-) or end (C5H5-) rings. The results suggest that the 1,7,2,4 complex contains a highly electron-delocalized, metallocene-like central ring, while the 1,7,2,3 system is dominated by strong localπ-interactions between the metals and an ethylenic CC bond in the central ring. In both isomers, the substitution of CH3, C6H5, or Si(CH3)3 at a carboranyl ring carbon atom, or of Br or I at B(5), produces moderate to large changes in chemical shift (relative to the parent molecule) at all boron positions and at all hydrogens in each ring. End-ring substitution by CH3, C2H5, or Si(CH3)3 in each isomer generates strong chemical shift effects in the central ring, and the Si(CH3)3 species also show a small effect in the unsubstituted C5H5 ring. A direct trans-polyhedral electronic interaction between the metal atoms is proposed to account for the observed antipodal effects." @default.
• W2019928372 created "2016-06-24" @default.
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• W2019928372 date "1976-06-01" @default.
• W2019928372 modified "2023-10-11" @default.
• W2019928372 title "Substituent NMR effects in triple-decked sandwich metallocarboranes" @default.
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• W2019928372 doi "https://doi.org/10.1016/s0022-328x(00)91758-3" @default.
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