International Journal of Chemical Studies
Vol. 5, Issue 1 (2017)
Theoretical study of metal ion complexation with phloroglucinol 13-Crown-4 bearing methoxy diethylene glycol as side chain
Author(s): Esmael Rostami and Firozeh Abbasi
Abstract: The capability of Phloroglucinol 13–crown-4 to form complexes with some metal cations (K+,Na+,Li+,Ca2+,Mg2+,Ag+, Hg2+, Pb2+) was investigated by computational methods in the gas phase. The calculations were performed at the DFT b3lyp/6-31g and HF/6-31g and HF/Lanl2DZ levels of theory. The formation constants were used to evaluate the metal binding capability of the crown. The results of the calculations showed that the formation constants of the complexes decreased in the range of Na+
Pages: 30-34 | 964 Views 16 Downloads
How to cite this article:
Esmael Rostami, Firozeh Abbasi. Theoretical study of metal ion complexation with phloroglucinol 13-Crown-4 bearing methoxy diethylene glycol as side chain. Int J Chem Stud 2017;5(1):30-34.