On the Electrophilic Character of Molecules Through Its Relation with Electronegativity and Chemical Hardness

International Journal of Molecular Sciences

Nazmul Islam¹ 

[1] Department of Chemistry, University of Kalyani, Kalyani 741235, West Bengal, India; E-Mail

关键词: electronegativity;    hardness;    electrophilicity index;    electronegativity equalization principle;    hardness equalization principle;    electrophilicity equalization principle;   

DOI  :  10.3390/ijms13022160

来源: mdpi

【 摘 要 】

Electrophilicity is an intrinsic property of atoms and molecules. It probably originates logistically with the involvement in the physical process of electrostatics of soaked charge in electronic shells and the screened nuclear charge of atoms. Motivated by the existing view of conceptual density functional theory that similar to electronegativity and hardness equalization, there should be a physical process of equalization of electrophilicity during the chemical process of formation of hetero nuclear molecules, we have developed a new theoretical scheme and formula for evaluating the electrophilicity of hetero nuclear molecules. A comparative study with available bench marking reveals that the hypothesis of electrophilicity and equalization, and the present method of evaluating equalized electrophilicity, are scientifically promising.

【 授权许可】

CC BY   
© 2012 by the authors; licensee Molecular Diversity Preservation International, Basel, Switzerland.