Comment on “Power Law Distribution Concerning Absolute Free Energies of Linear Sulfur Chains, Polythiazyls, Polyisoprenes, Linear trans-Polyenes, and Polyynes”

Abstract

Recently, an analysis of some linear molecular chains showed that the molecular energy grows as a linear function of the number of fragments in molecules of the form A−B n −C, where A, B, and C are chemical fragments. Additionally, the difference in the energy per fragment of two consecutive molecular chains was fitted into a power law form showing similar exponents close to 2. In this contribution, a natural expression, different from the power law, is presented for the previously mentioned difference.

The chemical thermodynamics and diamagnetism of n-alkanes. Calculations up to n-C110H222 from quantum chemical computations and experimental values

“…From the relation ( 21), we analyzed in the Table S-13, the difference between the free energy of two consecutive units G n /n -G (n-1) /(n − 1) = -757.55/n(n -1) kcal mol − 1 (ESI Figures 23 and 24) [14].…”