1. Study of structure prediction of complex compounds of zinc(II) chloride and cadmium(II) chloride with potassium cyanide and N,N’-diethylthiourea ligand
- Author
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Yolanda Faradilla Fadli, I. Wayan Dasna, Siti Hartinah Qurbayni, and Fariati
- Subjects
Cadmium ,Chemistry ,Compounds of zinc ,Potassium cyanide ,Ionic bonding ,chemistry.chemical_element ,Tetrahedral molecular geometry ,Zinc ,Chloride ,Solvent ,chemistry.chemical_compound ,medicine ,medicine.drug ,Nuclear chemistry - Abstract
Study of complex compounds structures of zinc(II) chloride and cadmium(II) chloride with potassium cyanide and N,N’-diethylthiourea (detu) as compound A and B, respectively, have not been reported. Therefore, the synthesize of those complex compounds had been carried out to study their structure prediction. In this research, compounds A and B were prepared by means of the direct method using distilled-water and methanol solvent. The melting point measurement of compounds A and B gave 203-205 °C and 210-213 °C at ambient pressure, respectively. Structure prediction and free energy calculation of the A and B complexes used Semi-Empirical PM6. Both complexes gave the calculated free energy as -129.605 kJ/mol and -381.0029 kJ/mol with tetrahedral geometry of metal ion, respectively. The electric conductivity test proposed that compound A is ionic, while compound B is molecular. The atomic ratio between the central atom and sulfur as atom donor regarding the EDX analysis for both compounds was 1:4 and 1:1, respectively. The prediction on chemical formula of A was [Zn(detu)4](CN)2 and B was [(CN)(detu)Cd(µ−CN)2Cd(CN) (detu)].
- Published
- 2020