STUDY OF MOLECULAR ORBITALS AND PHYSICAL AND CHEMICAL PROPERTIES OF INDENE BY CALCULATION
Keywords:
Indene, molecular orbitals, electron density, computational chemistry, energy parameters, dipole moment, computer modeling.Abstract
The aim of this article is to conduct an in-depth study of the structure and physicochemical properties of the indene molecule. Modern computational chemistry methods were used in the study. Indene is an aromatic compound, a dicyclic conjugated system with a complex electron cloud. Therefore, determining its electron density, molecular orbitals, partial charge distribution, and reactivity centers is crucial for a complete understanding of its chemical nature. The obtained computational results serve as an important scientific resource for the theoretical evaluation of the physicochemical properties of indene, the scientific substantiation of the synthesis processes for its derivatives, and the expansion of the application of this compound in organic chemistry, materials science, and the chemistry of natural compounds.
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