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Thermodynamic aspects of the [3+2] cycloaddition reaction of triphenyl-substituted TACs and the ethyl oleate

Year: 2024

Type: article

Abstract: The [3+2] cycloaddition reactions of triphenyl-substituted TACs and the ethyl oleate were examined on the basis of the DFT thermodynamic calculations. Free thermodynamic potentials of the reaction, values of the equilibrium constants K and equilibrium degrees were estimated on the basis of results derived from the vibrational analysis. Obtained results were compared with experimental studies on the model reaction with the participation of the C,C,N-triphenylnitrone.

Source: Scientiae Radices

DOI: 10.58332/scirad2024v3i4a02

Authors: Ewa Dresler, Akbar Dadras, Esmaeil Babanezhad, Oleg M. Demchuk

Language: English

Topic: Organic Chemistry Cycloaddition Reactions

Subfield: Organic Chemistry

Field: Chemistry

Domain: Physical Sciences

Open Access status: diamond

Funder: Narodowym Centrum Nauki

Award: G7369318941

OpenAlex ID: W4405114147

FWCI: 0.141

Cites:

Cited by: 1

Related to: 10