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Updated: Mar 31, 2026

Molecular Spring Constant Analysis by Biomembrane Force Probe Spectroscopy
Published on: November 20, 2021
A novel method for the calculation of bond stretching force constants of diatomic molecules
Savaş Kaya1, Cemal Kaya1, I B Obot2
1Cumhuriyet University, Science Faculty, Department of Chemistry, 58140 Sivas/Turkey.
Abstract:
Chemical hardness is one of the chemical reactivity descriptors of chemical species and this concept has widely benefited from the development of Density Functional Theory (DFT). In the present report, chemical hardness values for approximately fifty diatomic molecules have been calculated using a new molecular hardness (η(M)) equation derived by us in recent times. Then, correlation between force constant (k) and chemical hardness for the above mentioned diatomic molecules that situate hydrides, halides, oxides and sulfides among them has been investigated. Consequently, a relation that can be presented by a simple equation between chemical hardness with bond stretching force constants has been found.
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