Abstract
The indirect components of chemical interactions between atomic orbitals are explored within the Orbital Communication Theory of the chemical bond. The conditional probabilities for such through-bridge probability propagation and the associated entropy/information measures of the bond covalency are examined. The illustrative example of the bridge components of the chemical bonds between bridgehead carbons in small propellanes is discussed using the hybrid-orbital model. The bridge π-bonds in benzene and butadiene from the inter-orbital communications involving the single intermediate atomic orbitals are probed within the Hückel description and selected higher-orders of orbital bridges, involving several orbital intermediaries, are investigated.
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Throughout the paper A denotes a scalar quantity, A stands for a row-vector, and A represents a square or rectangular matrix.
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Open Access This is an open access article distributed under the terms of the Creative Commons Attribution Noncommercial License (https://creativecommons.org/licenses/by-nc/2.0), which permits any noncommercial use, distribution, and reproduction in any medium, provided the original author(s) and source are credited.
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Nalewajski, R.F. Chemical bonds from through-bridge orbital communications in prototype molecular systems. J Math Chem 49, 546–561 (2011). https://doi.org/10.1007/s10910-010-9761-8
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DOI: https://doi.org/10.1007/s10910-010-9761-8