Spectrophotometric, Thermodynamic and Density Functional Studies of Charge Transfer Complex Between Benzhydryl Piperazine and 2,3-Dichloro-5,6-dicyano-1,4-benzoquinone

Spectrophotometric, Thermodynamic and Density Functional Studies of Charge Transfer Complex... J Solution Chem https://doi.org/10.1007/s10953-018-0767-3 Spectrophotometric, Thermodynamic and Density Functional Studies of Charge Transfer Complex Between Benzhydryl Piperazine and 2,3‑Dichloro‑5,6‑dicyano‑1,4‑benzoquinone 1 1 1 Manoj Kumar Palnati  · Naveen Baindla  · Parthasarathy Tigulla Received: 10 July 2017 / Accepted: 11 February 2018 © Springer Science+Business Media, LLC, part of Springer Nature 2018 Abstract The charge transfer complex of benzhydryl piperazine as donor with the π-acceptor 2,3-dichloro-5,6-dicyano-p-benzoquinone has been studied spectrophotometri- cally in acetonitrile medium at different temperatures. On mixing the donor with acceptor, a reddish brown colored charge transfer complex is formed. Electronic absorption spectra of the complex show charge transfer bands at 587, 546 and 457 nm. The molecular compo- sition of the complex was studied by applying Job’s continuous variation and spectrophoto- metric titration methods. These results support the formation of the complex in a 1:2 ratio. The Benesi–Hildebrand equation has been applied to compute the formation constant and molecular extinction coefficient. Thermodynamic parameters of the charge transfer compl - exation reaction (standard entropy, standard enthalpy and standard Gibbs free energy) have been calculated. The results of the spectrophotometric study demonstrated that the charge transfer complex formation is endothermic. The computational studies of the charge trans- fer complex were performed by using the Gaussian 09 W package of http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Journal of Solution Chemistry Springer Journals

Spectrophotometric, Thermodynamic and Density Functional Studies of Charge Transfer Complex Between Benzhydryl Piperazine and 2,3-Dichloro-5,6-dicyano-1,4-benzoquinone

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Publisher
Springer US
Copyright
Copyright © 2018 by Springer Science+Business Media, LLC, part of Springer Nature
Subject
Chemistry; Physical Chemistry; Industrial Chemistry/Chemical Engineering; Geochemistry; Oceanography; Inorganic Chemistry; Condensed Matter Physics
ISSN
0095-9782
eISSN
1572-8927
D.O.I.
10.1007/s10953-018-0767-3
Publisher site
See Article on Publisher Site

Abstract

J Solution Chem https://doi.org/10.1007/s10953-018-0767-3 Spectrophotometric, Thermodynamic and Density Functional Studies of Charge Transfer Complex Between Benzhydryl Piperazine and 2,3‑Dichloro‑5,6‑dicyano‑1,4‑benzoquinone 1 1 1 Manoj Kumar Palnati  · Naveen Baindla  · Parthasarathy Tigulla Received: 10 July 2017 / Accepted: 11 February 2018 © Springer Science+Business Media, LLC, part of Springer Nature 2018 Abstract The charge transfer complex of benzhydryl piperazine as donor with the π-acceptor 2,3-dichloro-5,6-dicyano-p-benzoquinone has been studied spectrophotometri- cally in acetonitrile medium at different temperatures. On mixing the donor with acceptor, a reddish brown colored charge transfer complex is formed. Electronic absorption spectra of the complex show charge transfer bands at 587, 546 and 457 nm. The molecular compo- sition of the complex was studied by applying Job’s continuous variation and spectrophoto- metric titration methods. These results support the formation of the complex in a 1:2 ratio. The Benesi–Hildebrand equation has been applied to compute the formation constant and molecular extinction coefficient. Thermodynamic parameters of the charge transfer compl - exation reaction (standard entropy, standard enthalpy and standard Gibbs free energy) have been calculated. The results of the spectrophotometric study demonstrated that the charge transfer complex formation is endothermic. The computational studies of the charge trans- fer complex were performed by using the Gaussian 09 W package of

Journal

Journal of Solution Chemistry – Springer Journals

Published: May 30, 2018

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