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- W1998911131 abstract "Abstract The 11B NMR spectrum of the [7.102]hemiousenide ion (C7H6B10H9−) demonstrates ground state +T cage to ring electron donation from the region of the two apical borons. The chemically non-equivalent apical borons give an apparent singlet NMR absorption and thus appear to be in very similar electronic environments, even though they are unsymmetrically arranged relative to the cationic ring. Ab initio 3-21G(∗) and semi-empirical PM3 calculations suggest that the π-system of the ring only interacts with cage molecular orbitals that are symmetrical relative to both apical borons in B10H102− and that the electron density about the two apical borons is essentially identical in the [7.102]hemiousenide ion. Significant ground state electron donation from cage to ring is observed, consonant with conclusions from previous polarographic studies." @default.
- W1998911131 created "2016-06-24" @default.
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- W1998911131 date "2002-02-01" @default.
- W1998911131 modified "2023-09-27" @default.
- W1998911131 title "Ionic organoboranes. Part 7. Molecular orbital study of electron distribution in the [7.102]hemiousenide ion; explanation for the anomalous 11B NMR spectrum" @default.
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- W1998911131 doi "https://doi.org/10.1016/s0022-2860(01)00672-x" @default.
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