Communications in molecules : local and multi-configuration channels and their entropic descriptors of bond multiplicity and composition

The Orbital Communication Theory of the chemical bond, in which mole- cules are treated as information systems transmitting “signals” of electron allocations to Atomic Orbitals, is extended to cover the local resolution level of electron dis- tributions and the Configuration-Interaction (CI, multi -determinantal) description of molecular states. These communication systems generate the information-theoretic measures of both the absolute and relative multiplicities of chemical bonds, as well as the bond covalent (communication-noise) and ionic (information-flow) components. The orbital/local communications via the CI ensembles of the occupied molecular orbitals in such generalized molecular states are investigated. Illustrative two -orbital model and its prototype Valence-Bond structures are examined in a more detail