THEORETICAL STUDY ON 15-CROWN-5 COMPLEX WITH SOME METAL CATIONS

THEORETICAL STUDY ON 15-CROWN-5 COMPLEX WITH SOME METAL CATIONS

The capability of 15-crown-5 ethers to form complexes with some metal cations (Li+, Na+, K+, Zn2+, Cd2+ and Hg2+) was investigated by an ab initio quantum mechanical method. The calculations were performed at the RHF/lanl2mb level of theory. The interaction energies were used to evaluate the metal b...

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Bibliographic Details
Main Authors: Yahmin Yahmin, Harno Dwi Pranowo, Ria Armunanto
Format: Article
Language:English
Published: Department of Chemistry, Universitas Gadjah Mada 2012-06-01
Series:Indonesian Journal of Chemistry
Subjects:
extraction
15-crown-5
ab initio
Hartree-Fock
Online Access:https://jurnal.ugm.ac.id/ijc/article/view/21353

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