From Electronegativity towards Reactivity—Searching for a Measure of Atomic Reactivity
نویسندگان
چکیده
منابع مشابه
Reactivity, Equilibrium and Electronegativity
The entha lpy AH of general d isplacement react ions A B + C D A D + C B is der ived w i t h the a id of the ion ic app rox ima t i on to chemica l bond ing . T h i s entha lpy compares favourab ly w e l l w i t h Pau l ing 's cor responding equat ion AH—— 46 (%B— ̂ d ) (%A — XC)These expressions are used as a basis to discuss var ious aspects of chemical r eac t i v i t y : reversals i n react ...
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The term electronegativity .was introduced by Linus Pauling, who characterized on the basis ofthermodynamic data from the energies of the single bonds. In present study, the Density Functional Theory(DFT) was used to calculate electronegativity of atoms. The base of calculation is similar to Pauling andMulliken methods. The results indicate that the largest value of electronegativity for Fluori...
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متن کاملclassical dft study on atomic electronegativity
the term electronegativity .was introduced by linus pauling, who characterized on the basis ofthermodynamic data from the energies of the single bonds. in present study, the density functional theory(dft) was used to calculate electronegativity of atoms. the base of calculation is similar to pauling andmulliken methods. the results indicate that the largest value of electronegativity for fluori...
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ژورنال
عنوان ژورنال: Molecules
سال: 2021
ISSN: 1420-3049
DOI: 10.3390/molecules26123680