Cassini-oval description of atomic binding: New insights into the quantitative relationship between hardness coefficient and bond energy energy

PLoS One. 2024 May 16;19(5):e0303311. doi: 10.1371/journal.pone.0303311. eCollection 2024.

Abstract

In this paper, the research hypothesis of conservation of hardness coefficient is put forward, and a mathematical formula for describing and analyzing the relationship between hardness coefficient and bond energy is established in this model. The binding process of two heteronuclear atoms can be represented by Cassini oval in dynamic form, every molecular state corresponds to one of these graphs; then the critical phenomena of molecular deformation are discovered and the calculated potential energy at the critical point is consistent with the experimental dissociation energy of molecules (R is 0.99999, P < 0.0001).

MeSH terms

  • Hardness
  • Thermodynamics*

Grants and funding

The author a receives research support fees from the Xiamen Science Research Project (Project No.3502Z20209256). The funders provided financial support for the authors’ purchase of computers, software, and publication of the manuscript. The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript.