Topological Index. A Newly Proposed Quantity Characterizing the Topological Nature of Structural Isomers of Saturated Hydrocarbons

Abstract

Abstract A topological index Z is proposed for a connected graph G representing the carbon skeleton of a saturated hydrocarbon. The integer Z is the sum of a set of the numbers p(G,k), which is the number of ways in which such k bonds are so chosen from G that no two of them are connected. For chain molecules Z is closely related to the characteristic polynomial derived from the topological matrix. It is found that Z is correlated well with the topological nature of the carbon skeleton, i.e., the mode of branching and ring closure. Some interesting relations are found, such as a graphical representation of the Fibonacci numbers and a composition principle for counting Z. Correlation of Z with boiling points of saturated hydrocarbons is pointed out.