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The π-Electron-Accepting Ability of the Boron Atom in Ethynylboranes and Related Compounds – An Approximate Weight Computation for Resonance Structures☆ by Vinzenz Bachler; Nils Metzler-Nolte is a Chemistry article available to read on EtoBox.

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A theoretical analysis was performed to quantify the πelectron-accepting ability of the boron atom in ethynylboranes. An expansion technique was employed which permits to obtain a set of localized bonding schemes and their weights from a delocalized molecular orbital determinantal wavefunction. The derived manifold of bonding schemes is close to the classical resonance hybrid used in organic chemistry (valence-bond description). We quantified the π-electron transfer into the empty π-orbital of the boron atom by investigating nine model compounds where substituents with π-electron-donating ability are adjacent to a boron atom. This led to an ordering of the substituents according to their electron-donating ability towards boron. The boron atom hesitates to accept πelectrons from the ethynyl group in ethynylboranes in particular when good π-donors like amino groups are present. The π-electron donation from the vinyl group to the adjacent boron centre is slightly stronger than from the

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Author

Vinzenz Bachler; Nils Metzler-Nolte

Publisher

John Wiley and Sons; Wiley (John Wiley & Sons); John Wiley & Sons Ltd.; Wiley (ISSN 1434-1948)

Published

1998

Language

EN

Field

Chemistry (Physical Sciences)