Entropic Measures of Bond Multiplicity

As pointed out by Shannon [15], who established the information theory as an autonomous mathematical discipline, the basic problem of communication is that of reproducing at one point (receiver, output), exactly or approximately, a message sent at another point (source, input). The free (isolated) constituent atoms, defining the promolecule , can be viewed as the molecular message source. The information contained in the probability distributions of this reference state is mostly preserved in the molecule, the molecular message receiver. Indeed, the bonded (chemical) AIM are known to be only slightly perturbed in their valence shell relative to their free analogs. However, these small deformations in the electron distribution, due to 

This novel approach indicates, that a chemical bond-order concept can be also considered as exhibiting an entropic origin [147]. Thus, the concepts of the Information Theory provide appropriate tools for extracting the chemical interpretation in terms of both bonded atoms and bonds which connect them in a molecule. 

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R.F. Nalewajski, Entropic measures of bond multiplicity from the information theory, J. Phys. Chem. A 104 (2000) 11940. 

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