Ivo Baučić

Comparison between the Vertex- and Edge-Connectivity Indices for Benzenoid Hydrocarbons

In this report we studied the relationship between the vertex- and edge-connectivity indices, and the relationship of both these indices and the π-electron energies for benzenoid hydrocarbons. We also presented the use of edge-connectivity indices in the structure−boiling point modeling for benzenoid hydrocarbons. The obtained structure−boiling point models are compared with the models based on the vertex-connectivity indices and the distance-dependent molecular descriptors. The best structure−boiling point model for benzenoids achieved here is the quadratic model based on the edge-connectivity indices whose statistical characteristics are comparable to the best model from the literature; that is, Randics model based on the multivariate regression analysis with the first-, second-, third-, and fourth-order geometric distance indices.