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Electronegativity
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===Sanderson electronegativity equalization=== [[Image:Pauling and Sanderson electronegativities.png|thumb|upright=1.35|The correlation between Sanderson electronegativities (''x''-axis, arbitrary units) and Pauling electronegativities (''y''-axis).]] [[Robert Thomas Sanderson|R.T. Sanderson]] has also noted the relationship between Mulliken electronegativity and atomic size, and has proposed a method of calculation based on the reciprocal of the atomic volume.<ref>{{cite journal|author=Sanderson, R. T. |year=1983 |title=Electronegativity and bond energy| journal=Journal of the American Chemical Society|volume=105|pages=2259β2261|doi=10.1021/ja00346a026 |issue=8}}</ref> With a knowledge of bond lengths, Sanderson's model allows the estimation of bond energies in a wide range of compounds.<ref>{{cite book|author=Sanderson, R. T.|year=1983|title=Polar Covalence|location=New York|publisher=Academic Press|isbn=978-0-12-618080-0|url-access=registration|url=https://archive.org/details/polarcovalence0000sand}}</ref> Sanderson's model has also been used to calculate molecular geometry, ''s''-electron energy, [[NMR]] spin-spin coupling constants and other parameters for organic compounds.<ref>{{cite journal |last1=Zefirov |first1=N. S. |first2=M. A. |last2=Kirpichenok |first3=F. F. |last3=Izmailov |first4=M. I. |last4=Trofimov |title=Calculation schemes for atomic electronegativities in molecular graphs within the framework of Sanderson principle |journal=[[Doklady Akademii Nauk SSSR]] |year=1987 |volume=296 |pages=883β887}}</ref><ref>{{cite journal |doi=10.1007/s11172-006-0105-6|title=Application of the electronegativity indices of organic molecules to tasks of chemical informatics |year=2005|author=Trofimov, M. I.|journal=Russian Chemical Bulletin|volume=54|pages=2235β2246|last2=Smolenskii|first2=E. A.|issue=9|s2cid=98716956 }}</ref> This work underlies the concept of '''electronegativity equalization''', which suggests that electrons distribute themselves around a molecule to minimize or to equalize the Mulliken electronegativity.<ref name= Lipkowitz> {{cite book |title=Reviews in computational chemistry |author1=SW Rick |author2=SJ Stuart |chapter=Electronegativity equalization models |editor1=Kenny B. Lipkowitz |editor2=Donald B. Boyd |chapter-url=https://books.google.com/books?id=IqWXSLz6QE8C&pg=PA106 |page=106 |isbn=978-0-471-21576-9 |year=2002 |publisher=Wiley}}</ref> This behavior is analogous to the equalization of chemical potential in macroscopic thermodynamics.<ref name=Parr>{{cite book |title=Density-functional theory of atoms and molecules |author1=Robert G. Parr |author2=Weitao Yang |url=https://books.google.com/books?id=mGOpScSIwU4C&pg=PA91 |page=91 |isbn=978-0-19-509276-9 |year=1994 |publisher=Oxford University Press}}</ref>
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