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International Journal of Advance Scientific Research SCIENTIFIC IDEAS. INTERNATIONAL PERSPECTIVES.
ISSN 2750-1396 12 issues per year · Monthly
Crossref DOI: 10.37547/ijasr
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Articles Published:

RESEARCH OF MOLECULAR-ENERGETIC PARAMETERS OF THE SYNTHESIS OF FERROCENE CARBONIC ACID DERIVATIVES BY QUANTUM-CHEMICAL CALCULATIONS

Vol. 3 No. 07 (2023): Volume 03 Issue 07 Pages 12-16
Authors
  • I.R. Asqarov
    Andijan State University, Andijan, Uzbekistan
  • N.Q. To‘Lakov
    Andijan State University, Andijan, Uzbekistan
  • Z.X. Abduraimov
    Andijan State University, Andijan, Uzbekistan
DOI 10.37547/ijasr-03-07-03 ↗
RESEARCH OVERVIEW

Abstract

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.

Keywords

  • Gaussian program
  • quantum chemistry
  • ferrocene
SOURCES & CITATIONS

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.
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