Spectroscopic characterization and structural insights of 4-Coumarinyl-4-nitrobenzoate using vibrational and quantum chemical calculations
نویسندگان
چکیده
The aim of the study was to synthesize 4-Coumarinyl-4-nitrobenzoate and detect its experimental theoretical properties. synthesized using by nucleophilic adduction-separation reaction aroyl compounds. In this context 4-coumarinyl 4-nitrobenzoate compound has been characterized both experimentally theoretically quantum chemical calculations spectral techniques. Quantum such as molecular geometry, geometric structure, parameters title were calculated with 6-311G (d, p) basis set. electronic properties energy difference between HOMO-LUMO, hardness softness made. Molecular electrostatic potential (MEP) surface obtained.
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ژورنال
عنوان ژورنال: Bitlis Eren University journal of science and technology
سال: 2021
ISSN: ['2146-7706']
DOI: https://doi.org/10.17678/beuscitech.907056