Physicochemical Properties and Molecular Mechanics of Some Thiohydantoin Derivatives Complexes.
Abd El-Fattah, M., Soliman, A., Mohammed, O. (2013). Physicochemical Properties and Molecular Mechanics of Some Thiohydantoin Derivatives Complexes.. EKB Journal Management System, 8(1), 65-74. doi: 10.12816/0010676
Mohy El-Din Abd El-Fattah; Aida Soliman; Omayma Mohammed. "Physicochemical Properties and Molecular Mechanics of Some Thiohydantoin Derivatives Complexes.". EKB Journal Management System, 8, 1, 2013, 65-74. doi: 10.12816/0010676
Abd El-Fattah, M., Soliman, A., Mohammed, O. (2013). 'Physicochemical Properties and Molecular Mechanics of Some Thiohydantoin Derivatives Complexes.', EKB Journal Management System, 8(1), pp. 65-74. doi: 10.12816/0010676
Abd El-Fattah, M., Soliman, A., Mohammed, O. Physicochemical Properties and Molecular Mechanics of Some Thiohydantoin Derivatives Complexes.. EKB Journal Management System, 2013; 8(1): 65-74. doi: 10.12816/0010676

Physicochemical Properties and Molecular Mechanics of Some Thiohydantoin Derivatives Complexes.

Catrina: The International Journal of Environmental Sciences
Article 9, Volume 8, Issue 1, 2013, Page 65-74  XML PDF (245.53 K)
Document Type: Original Article
DOI: 10.12816/0010676
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Authors
Mohy El-Din Abd El-Fattah email orcid 1; Aida Soliman1; Omayma Mohammed2
1Chemistry Department, Faculty of Science, Suez Canal University, Ismailia, Egypt
2Chemistry Authority, Suez Branch, Port Tawfic, Suez, Egypt
Abstract
The organic ligands Cinnamaldehydethiosemicarbazone(1), 3-(3-Phenyl-allylideneamino)-2-thioxoimidazolidine-
4-one (2), [4-Oxo-3-(3-phenyl-allylideneamino)-2-thioxo-imidazolidin-1-yl]-acetic acid
(3), 1-(1-aza-4-phenylbuta-1,3-dienyl)-2-methylthio-2-imidazolin-5-one (4) and 1-(1-aza-4-phenylbuta-
1,3-dienyl)-2-methylthio-2-imidazolin-5-one (5) were prepared and characterized using spectroscopic
and physico-chemical methods (Scheme 1). The modeling of the synthesized compounds (1 and 2) and
the computation of the steric, Van der Waals, bending and stretching energy were calculated using the
Molecular Mechanical method (MM2) using CS cheme Office program. For each conformation of the
synthesized compounds (1, 2), the minimum energy one was determined and listed. The complexes of
the compound 1 and 2 with Zn(II), Cu(II) and Ni(II) were prepared and characterized. The postulated
spatial arrangements have been confirmed using the molecular modeling program, elemental analysis
(CHNM %), conductance, IR, thermal analysis and mass spectra.
Keywords
complexes; Molecular mechanics; Thiohydantoin; Thermal analysis
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