Journal
JOURNAL OF MATHEMATICAL CHEMISTRY
Volume 49, Issue 2, Pages 371-392Publisher
SPRINGER
DOI: 10.1007/s10910-010-9747-6
Keywords
Bond orders; Chemical interactions; Direct/indirect bonding mechanisms; Entropic bond indices; Information-theoretic bond multiplicities; Orbital Communication Theory of chemical bond; Through-bridge/through-space bond components; Wiberg bond-orders
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The direct (through-space) and indirect (through-bridge) components of chemical interactions between atomic orbitals are identified in both the Wiberg bond-order formalism and the Orbital Communication Theory of the chemical bond. The illustrative examples using the Huckel description of the conjugated pi-bonds in benzene and butadiene are given and the existence of the through-bridge bond between bridgehead carbons in small propellanes is conjectured.
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