Conjugated hydrocarbons, dipole moments

When this conjugation occurs, the level of active (corrosive) acid is substantially decreased. No simple quantitive correlation has been shown between the acidity (pKa) of acids in hydrocarbon formulation and low polar solvents (Coetzee, 1967). Acid-base interaction with and without proton transfer (PT) (BH+A B...(HA)m) has been related to acid and base enthalpies of reaction (Pawlak and Bates, 1982), the infrared carbonyl stretching band and gradual appearance of the asymmetric COO band (Lindeman and Zundel, 1972 Magonski and Pawlak, 1982), changes in pH (Kuna et al., 1982 Pawlak et al., 1982), NMR proton chemical shifts (Magonski and Pawlak, 1982), and dipole moments (Sobczyk and Pawelka, 1979). These parameters depend upon the acid-base strength of the partners, ApKa(PT) the difference between the pKa(acceptor) and pKa(donor) on the water scale (Sobczyk, 2001). 

To the best of our knowledge, this may well be the first virtual physicochemical molecular property so far reported. The opposite of this would be atomic or bond virtual properties obtained by partitioning of (experimental) molecular properties, and these have been known for quite a while. One illustration is the bond dipole moments, which are not experimentally measured, except for diatomic molecules, but are constructed by decomposition of experimentally measured molecular dipole moments along individual bonds in a molecule. A similar illustration is the calculated % electron ring currents for cyclic conjugated hydrocarbons, which are obtained by decomposition of the electron density currents, that could be assigned... 

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