TITLE:
Thermodynamic Study and Spectroscopic Analysis of a Charge-Transfer Complex between 3,5-Diamino-1,2,4-Triazole and 6-Methyl-1,3,5-Triazine-2,4-Diamine with Chloranilic Acid
AUTHORS:
Khairia M. Al-Ahmary, Ashwaq T. Alharbi
KEYWORDS:
3, 5-Diamino-1, 2, 4-Triazole, 6-Methyl-1, 3, 5-Triazine-2, 4-Diamine, Charge Transfer, Hydrogen Bond, Spectroscopy
JOURNAL NAME:
Open Journal of Physical Chemistry,
Vol.10 No.1,
February
13,
2020
ABSTRACT: Studying of charge-transfer (CT)
and proton transfer interactions is essential due to their important role in
many biological field and industrial applications. The current work will add
more information’s about the nature of interaction between
3,5-diamino-1,2,4-triazole (DAT) and 6-methyl-1,3,5-triazine-2,4-diamine (MTDA) with 3,6-dichloro-2,5-dihydroxy-p-benzoquinone (chloranilic acid CLA)
which was studied spectrophotometrically in Ethanol (EtOH) and Methanol (MeOH)
solvents at different temperatures. The molecular composition of the formed
complexes was studied by applying continuous variation and spectrophotometric
titration methods and found to be 1:1 charge transfer complex for both Complex
(DAT:CLA) and (MTDA:CLA) which are produced. Minimum-Maximum
absorbance’s method has been applied to calculate the formation constant KCT and molecular
extinction coefficient (ε); they recorded
high values confirming high stability of the produced complexes. Oscillator
strength (f), transition dipole moment (μ),
ionization potential (IP)
and dissociation energy (W) of the formed CT-complexes were also
determined and evaluated; they showed solvent dependency. It is concluded
that the formation constant (KCT) of the complexes is found to depend on the
nature of both electron acceptor and donors and on the polarity of solvents.