ELECTRONIC STRUCTURE AND QUANTUM-CHEMICAL ACCOUNT OF FURFUROLIDENUREA

Saidmurod Mukhammedov; Ibrokhim Askarov; Khayatulla Isakov

ELECTRONIC STRUCTURE AND QUANTUM-CHEMICAL ACCOUNT OF FURFUROLIDENUREA

Authors

Mukhammedov Saidmurod

Fergana Polytechnic Institute
Askarov Ibrokhim

Andijan State University
Isakov Khayatulla

Andijan State University

Keywords:

furfural, urea, furfuralidenurea, quantum chemical calculation, atomic charge, bond length, Gaussian.

Abstract

Today, important research is being conducted in the field of accurately describing the properties of high-molecular compounds and the chemical reactions involved in them with high theoretical accuracy.This paper presents the results of the reactivity of furfural and urea molecules required to obtain furfuralidenurea calculated using a modern Gaussian98 computer program. The electronic structure of the furfuralidenurea molecule, optimized geometric parameters, atomic charges were calculated with high accuracy. Theoretically necessary results were obtained on the reactivity of the compound.

Author Biographies

Mukhammedov Saidmurod, Fergana Polytechnic Institute

Basic doctoral student of Fergana Polytechnic Institute
Askarov Ibrokhim, Andijan State University

Professor of the Department of Chemistry, Andijan State University, DSc
Isakov Khayatulla, Andijan State University

Associate Professor of Chemistry, Andijan State University, PhD.

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