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Vol. 36 No. 6 (2024): Vol 36 Issue 6, 2024

Copyright (c) 2024 Ramakanth Pagadala, VENUGOPAL ABBU, NAGA GAYATRI SAMBHANI , THIRUPATHI DAMERA

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This work is licensed under a Creative Commons Attribution 4.0 International License.

Charge Transfer Complexes of 1-Cyclohexylpiperazine as Donor with 2,3-Dichloro-5,6-dicyano-p-benzoquinone and 2,3,5,6-Tetra chloro-p-benzoquinone as Acceptors: A Comparative Studies of Spectroscopic, Thermodynamic and DFT Analysis

Charge transfer complexes
https://doi.org/10.14233/ajchem.2024.31296
Venugopal Abbu
Chemistry Division, Department of Humanities and Science, C.V.R. College of Engineering, Hyderabad-501510, India
https://orcid.org/0000-0003-2799-815X
Venkatesh Nampally
Department of Chemistry, Osmania University, Tarnaka, Hyderabad-500007, India
https://orcid.org/0000-0001-9312-9572
Ramakanth Pagadala
Chemistry Division, Department of Humanities and Science, C.V.R. College of Engineering, Hyderabad-501510, India
https://orcid.org/0000-0002-9248-1846
Sambhani Naga Gayatri
Chemistry Division, Department of Humanities and Science, C.V.R. College of Engineering, Hyderabad-501510, India
https://orcid.org/0000-0001-7196-8316
Thirupathi Damera
Chemistry Division, Department of Humanities and Science, C.V.R. College of Engineering, Hyderabad-501510, India
https://orcid.org/0000-0002-0724-9314
T. Parthasarathy
Department of Chemistry, Osmania University, Tarnaka, Hyderabad-500007, India

Corresponding Author(s) : Ramakanth Pagadala

pagadalaramakanth@gmail.com

Asian Journal of Chemistry, Vol. 36 No. 6 (2024): Vol 36 Issue 6, 2024

Abstract

Novel 1-cyclohexylpiperazine charge transfer compounds, acting as donors, were investigated in conjunction with the π-acceptors 2,3-dichloro-5,6-dicyano-p-benzoquinone (DDQ) and 2,3,5,6-tetrachloro-p-benzoquinone (CHL) through spectrophotometric analysis at room temperature in acetonitrile. The Benesi-Hildebrand equation was applied to determine the molar extinction coefficient (ε) and stability constant (KCT) for both charge transfer (CT) complexes, each exhibiting a 1:1 molar composition. The infrared (IR) spectroscopy confirmed the presence of CT complexes and these complexes were further evaluated for their pharmacological potential in DNA binding studies, revealing their interaction with DNA through intercalation. The density functional theory (DFT) analysis provided insights into bond lengths, bond angles, Mulliken atomic charges, molecular electrostatic potential (MEP) maps and the highest occupied molecular orbital to the lowest unoccupied molecular orbital (HOMO-LUMO) characteristics of the CT complexes.

Keywords

p-Benzoquinones Charge transfer complexes Benesi-Hildebrand equation DFT analysis
Abbu, V., Nampally, V., Pagadala, R., Gayatri, S. N., Damera, T., & Parthasarathy, T. (2024). Charge Transfer Complexes of 1-Cyclohexylpiperazine as Donor with 2,3-Dichloro-5,6-dicyano-p-benzoquinone and 2,3,5,6-Tetra chloro-p-benzoquinone as Acceptors: A Comparative Studies of Spectroscopic, Thermodynamic and DFT Analysis: Charge transfer complexes. Asian Journal of Chemistry, 36(6), 1251–1264. https://doi.org/10.14233/ajchem.2024.31296
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