Chemistry

   

Structure of the Benzene Molecule From the Point of View of the Concept of the Three-Electron Bond

Authors: Bezverkhniy Volodymyr Dmytrovych

Using the concept of a three-electron bond, one can depict the real electronic structure of benzene, explain the specifics of an aromatic bond, and calculate the delocalization energy. It is shown that the functional dependence y = a + b/x + c/x² describes well the dependence of the energy and multiplicity of a chemical bond on the bond length. In this paper, carbon-carbon bonds are considered. Using these dependences, it is possible to calculate the chemical bond energy at different bond lengths or different bond multiplicity, which makes it possible to calculate the delocalization energy of the benzene molecule.

Используя концепцию трёхэлектронной связи можно изобразить реальную электронную структуру бензола, объяснить специфику ароматической связи и вычислить энергию делокализации. Показано, что функциональная зависимость y = a + b/x + c/x² хорошо описывает зависимость энергии и кратности химической связи от длины связи. В данной работе рассматриваются углерод-углеродные связи. Используя данные зависимости можно вычислить энергию химической связи при разной длине связи или разной кратности связи, что дает возможность вычислить энергию делокализации молекулы бензола.

Comments: 27 Pages.

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Submission history

[v1] 2022-07-04 22:16:41

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