Document Detail


On the electrophilic character of molecules through its relation with electronegativity and chemical hardness.
MedLine Citation:
PMID:  22408445     Owner:  NLM     Status:  PubMed-not-MEDLINE    
Abstract/OtherAbstract:
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.
Authors:
Nazmul Islam; Dulal C Ghosh
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Publication Detail:
Type:  Journal Article     Date:  2012-02-17
Journal Detail:
Title:  International journal of molecular sciences     Volume:  13     ISSN:  1422-0067     ISO Abbreviation:  Int J Mol Sci     Publication Date:  2012  
Date Detail:
Created Date:  2012-03-12     Completed Date:  2012-10-02     Revised Date:  2013-05-29    
Medline Journal Info:
Nlm Unique ID:  101092791     Medline TA:  Int J Mol Sci     Country:  Switzerland    
Other Details:
Languages:  eng     Pagination:  2160-75     Citation Subset:  -    
Affiliation:
Department of Chemistry, University of Kalyani, Kalyani 741235, West Bengal, India; E-Mail: nazmul.islam786@gmail.com.
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