engleski

Variable connectivity index for cycle-containing structures

In the early applications of the connectivity index the index was empirically modified for some properties of cyclic structures by substracting 1/2 from the computed value based solely on valence of verticles in molecular graph. In this article we looked into the origin of this heuristic adjustement of the connectivity indices for cyclic structures. We have examined the relative role of carbon atoms in cycle-containing structures by differentiating carbon atoms making up a ring and carbon atoms in exocyclic bonds. We found in the case of the boiling points of cycloalkanes and alkylcycloalkanes that contributions of "cyclic" and "acyclic" atoms to molecular additivities differ somewhat.

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