Özet:

The aim of the study was to identify its experimental and theoretical properties by synthesizing 4-Kumarinil-4-florobenzoate. 4-Kumarinil-4-florobenzoate was synthesized using the nucleophilic participation-division reaction of aroil compounds. In this context, the 4-kumarinyl 4-florobenzoate compound is characterized both experimentally and theoretically using quantum chemical calculations and spectral techniques. The core magnetic resonance and infrared spectroscopic values of the compound were calculated both experimentally and theoretically (the intensity functional theory method was used when theoretical calculations were made). The calculated infrared and nuclear magnetic resonance values were found to be compatible with experimental values. Quantum chemical calculations such as molecular geometry, geometric structure and geometric parameters of the compound were calculated by the 6-311G(d,p) base set. The quantum chemical calculation of electronic characteristics, such as the energy difference between HOMO-LUMO, chemical hardness and chemical softness, was made. The molecular electrostatic potential (MEP) of 4-Kumarinil-4-florobenzoate was obtained.

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