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... The charge transfer complex of benzhydryl piperazine as donor with the π-acceptor 2,3-dichloro-5,6-dicyano-p-benzoquinone has been studied spectrophotometrically 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 composition of the complex was studied by applying Job’s continuous variation and spectrophotometric 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 complexation 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 transfer complex were performed by using the Gaussian 09 W package of programs. The bond lengths, bond angles, dihedral angles, Mulliken atomic charges, molecular electrostatic potential maps and characterization of the highest occupied molecular orbital and lowest unoccupied molecular orbital surfaces of charge transfer complex were computed. 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 Journals
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
DOI
10.1007/s10953-018-0767-3
Publisher site
See Article on Publisher Site

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 spectrophotometrically 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 composition of the complex was studied by applying Job’s continuous variation and spectrophotometric 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 complexation 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 transfer complex were performed by using the Gaussian 09 W package of programs. The bond lengths, bond angles, dihedral angles, Mulliken atomic charges, molecular electrostatic potential maps and characterization of the highest occupied molecular orbital and lowest unoccupied molecular orbital surfaces of charge transfer complex were computed.

Journal

Journal of Solution Chemistry – Springer Journals

Published: May 30, 2018

References

  • Structures of complexes formed by halogen molecules with aromatic and with oxygenated solvents
    Mulliken, RS
  • Molecular Complexes
    Mulliken, RS; Pearson, WB
  • Molecular compounds and their spectra. III. The interaction of electron donors and acceptors
    Mulliken, RS
  • Organic Charge-Transfer Complexes
    Foster, R
  • Spectrophotometric determination of β-adrenergic blocking agents in pharmaceutical formulations
    Salem, H
  • The fundamental absorption edge and optical constants of some charge transfer compounds
    Yakuphanoglu, F; Arslan, M
  • Surface catalyzed electron transfer from polycyclic aromatic hydrocarbons (PAH) to methyl viologen dication: evidence for ground-state charge transfer complex formation on silica gel
    Dabestani, R; Reszka, KJ; Sigman, ME
  • Chemistry and photo physics of thiol-stabilized II-VI semiconductor nanocrystals
    Eychmüller, A; Rogach, AL
  • Tetrathiafulvalene-7,7,8,8-tetracyanoquino- dimethane and tetrathiafulvalene-2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane organic charge-transfer complexes: reusable catalysts for electron-transfer reactions
    Hoshyargar, F; O′Mullane, AP
  • Synthesis and antimicrobial studies of novel 1-benzhydryl-piperazine sulfonamide and carboxamide derivatives
    Ananda Kumar, CS; Vinaya, K; Narendra Sharath Chandra, J; Thimmegowda, NR; Benaka Prasad, SB; Sadashiva, CT; Rangappa, KS
  • A valuable insight into recent advances on antimicrobial activity of piperazine derivatives
    Kharb, R; Bansal, K; Sharma, AK
  • Synthesis and complex formation of di ferrocenyl tetra thiafulvalene. J. Chem. Soc
    Yoshio, U; Hiroshi, S; Mokoto, O
  • Charge Transfer Interaction of Bio Molecules
    Slifkin, AM
  • Charge transfer complexes of 2-arylaminomethyl-1H-benzimidazole with 2,3-dichloro-5,6-dicyano-1,4-benzoquinone: experimental and DFT studies
    Shehab, OR; Mansour, AM
  • Synthesis and spectroscopic studies of the charge transfer complexes of 2- and 3-aminopyridine
    Mostafa, A; Bazzi, HS
  • Use of charge-transfer complexation in the spectrophotometric analysis of certain cephalosporins
    Saleh, GA; Askal, HF; Radwan, MF; Omar, MA
  • Sparfloxacin charge transfer complexes with 2,3-dichloro-5,6-dicyano-1,4-benzoquinone and tetracyanoquinodimethane: molecular structures, spectral, and DFT studies
    Shehab, OR; Mansour, AM
  • Spectrophotometric and spectroscopic studies of charge transfer complex of 1-naphthylamine as an electron donor with picric acid as an electron acceptor in different polar solvents
    Singh, N; Ahmad, A
  • Spectrophotometric and electro chemical studies of the interaction of cryptand 222 with DDQ and I2 in ethanol solutions
    Semnani, A; Hamid Reza, P
  • Solvent effect on the charge transfer complex of oxatomide with 2,3-dichloro-5,6-dicyanobenzoquinone
    Pandeeswaran, M; Elango, KP
  • Synthesis, spectroscopic, thermal and structural investigations of charge-transfer complexes of 4,4-trimethylene dipiperidine with chloranil, TBCHD, DDQ, TCNQ and iodine
    Shahada, L; Mostafa, A; Nour, EM; Bazzi, HS
  • Spectroscopic investigation on the mechanism of formation of molecular complexes of albendazole and trimethoprim with 2,3-dichloro-5,6-dicyano-1,4-benzoquinone
    Ganesh, K; Balraj, C; Satheshkumar, A
  • Spectroscopic analysis, thermodynamic study and molecular modelling of charge transfer complexation between 2-amino-5,6-dimethyl-1,2,4-triazine with DDQ in acetonitrile
    Al-Attas, AS; Al-Raimi, DS; Habeeb, MM
  • Spectroscopic characterization of hydrogen-bonded proton transfer complex between 4-aminopyridine with 2,6-dichloro-4-nitrophenol in different solvents and solid state
    Al-Ahmary, KM; Al-Solmy, EA; Habeeb, MM
  • Quick and simple formation of charge transfer complexes of brain and nerves phenytoin drug with different π-acceptors: chemical and biological studies
    Ibrahim, OB; Mohamed, MA; Adam, AMA
  • A spectrophotometric investigation of the interaction of iodine with aromatic hydrocarbons
    Benesi, HA; Hildebrand, JH
  • Synthesis of charge transfer complex of chloranilic acid as acceptor with p-nitroaniline as donor Crystallographic, UV-visible spectrophotometric and antimicrobial studies
    Khan, IM; Ahmad, A; Miyan, L; Ahmad, M; Azizc, N
  • Molecular complexes of substituted thiophenes with σ and π acceptors. Charge transfer spectra and ionization potentials of the donors
    Aloisi, GG; Pignataro, S
  • Intensity of electron transition bands in electron donator–acceptor complexes
    Briegleb, G; Czekalla, J
  • Synthesis, spectroscopic and computational studies of charge-transfer complexation between 4-aminoaniline and 2,3-dichloro-5,6-dicyano-1,4-benzoquinone
    Arunapriya, L; Naveen, B; Parthasarathy, T
  • Synthesis, spectroscopic and computational studies of CT complexes of amino acids with iodine as σ acceptor
    Shirish Kumar, K; Parthasarathy, T
  • Charge transfer interaction of 8-hydroxyquinoline with DDQ: spectrophotometric, thermodynamic and molecular modeling studies
    Naveen, B; Arunapriya, L; Parthasarathy, T
  • Investigation of ground state charge transfer complex between paracetamol and p-chloranil through DFT and UV–visible studies
    Madhulatha, S; Nitin, S; Satyen, S
  • Spectroscopic studies and molecular orbital calculations of charge transfer complexation between 3,5-dimethylpyrazole with DDQ in acetonitrile
    Habeeb, MM; Al-Attas, AS; Al-Raimi, DS

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