RESEARCH OF MOLECULAR-ENERGETIC PARAMETERS OF THE SYNTHESIS OF FERROCENE CARBONIC ACID DERIVATIVES BY QUANTUM-CHEMICAL CALCULATIONS
DOI:
https://doi.org/10.37547/ijasr-03-07-03Keywords:
Gaussian program, quantum chemistry, ferroceneAbstract
In the article, the advantages of quantum-chemical calculations in the study of the relationship between the structure and properties of matter were presented. In order to energetically justify the structure of the product formed as a result of the reaction of ferrocenecarbonic acid with p-aminobenzoic acid, the structure of the optimized structures was studied in the Gaussian 98 program. Their Hartree energies were determined and analytical data were reported.
Downloads
References
N. Q. Muxamadiyev. (2016). Kimyoviy birikmalar tuzilishi va xossalarini matematik modellash, Toshkent: Cho‘lpon nashriyoti, 264 bet.
Несмеянов, А. Н., Перевалова, Э. Г., Симукова, Н. А., Шейнкер, Ю. Н., & Решетова, М. Д. (1960). Образование 1, 2, 3-оксадиазинового цикла при взаимодействии 1, 1'-диацетилферроцена с арилдиазониями. In Доклады Академии наук (Vol. 133, No. 4, pp. 851-854). Российская академия наук.
Little, W. F., Lynn, K. N., & Williams, R. (1963). A Novel Side Reaction Accompanying the Arylation of Ferrocene. An Example of Free Radical Substitution. Journal of the American Chemical Society, 85(19), 3055-3056.
Rosemblum M., Hovebls W.G., Raneriee C., The structure and chemistry of Ferrocene, IV. Mehanism p.64.
Downloads
Published
Issue
Section
License
Copyright (c) 2023 I.R. Asqarov, N.Q. To‘Lakov, Z.X. Abduraimov
This work is licensed under a Creative Commons Attribution 4.0 International License.
