Ordering of alkane isomers by means of connectivity indices

The connectivity index of an organic molecule whose molecular graph is Gis defined as C(λ)=Σ(δuδv)λwhere δu is the degree of the vertex u in G, where the summation goes over all pairs of adjacent vertices of G and where λ is a pertinently chosen exponent. The usual value of λ is –1/2, in which case χ=C(–1/2) is referred to as the Randić index. The ordering of isomeric alkanes according to χfollows the extent of branching of the carbon-atom skeleton. We now study the ordering of the constitutional isomers of alkanes with 6 through 10 carbon atoms with respect to C(λ) for various values of the parameter λ. This ordering significantly depends on λ. The difference between the orderings with respect to χand with respect to C(λ) is measured by a function Δand the λ-dependence of Δwas established.

Abstract licence: CC BY

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