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 PDF (245.53 K) | ||||
Document Type: Original Article | ||||
DOI: 10.12816/0010676 | ||||
View on SCiNiTO | ||||
Authors | ||||
Mohy El-Din Abd El-Fattah 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 | ||||
Statistics Article View: 99 PDF Download: 206 |
||||