Corpus ID: 55507066

Theoretical study of metal ion complexation with phloroglucinol 13-Crown-4 bearing methoxy diethylene glycol as side chain

@article{Rostami2017TheoreticalSO,
  title={Theoretical study of metal ion complexation with phloroglucinol 13-Crown-4 bearing methoxy diethylene glycol as side chain},
  author={E. Rostami and F. Abbasi},
  journal={International Journal of Chemical Studies},
  year={2017},
  volume={5},
  pages={30-34}
}
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+<K+<Ag+<Li… Expand

References

SHOWING 1-2 OF 2 REFERENCES
Crown Ethers and Cryptands
  • 378
Crown Ethers and Cryptands; the Royal Society of Chemistry
  • 1991