Literature DB >> 3855552

Electronegativity and hardness as coordinates in structure stability diagrams.

S Shankar, R G Parr.   

Abstract

With electronegativity and hardness of an atom defined as 1/2(I + A) and 1/2(I - A), respectively, where I and A are the ionization potential and electron affinity, electronegativity difference and hardness sum are proposed as coordinates in structure stability diagrams. With these coordinates a successful topological classification of the crystal structures of octet and suboctet binary compounds is obtained, and a clear delineation of the structural classes portraying chemical periodicity is found.

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Year:  1985        PMID: 3855552      PMCID: PMC397017          DOI: 10.1073/pnas.82.2.264

Source DB:  PubMed          Journal:  Proc Natl Acad Sci U S A        ISSN: 0027-8424            Impact factor:   11.205


  1 in total

1.  Redox and Lewis acid-base activities through an electronegativity-hardness landscape diagram.

Authors:  Ranjita Das; Jean-Louis Vigneresse; Pratim Kumar Chattaraj
Journal:  J Mol Model       Date:  2013-09-17       Impact factor: 1.810

  1 in total

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