AB INITIO INVESTIGATION OF 12-CROWN-4 AND BENZO-12-CROWN-4 COMPLEXES WITH Li<sup>+</sup>, Na<sup>+</sup>, K<sup>+</sup>, Zn<sup>2+</sup>, Cd<sup>2+</sup>, AND Hg<sup>2+</sup>

The structure and binding energies of 12-crown-4 and benzo-12-crown-4 complexes with Li+, Na+, K+, Zn2+, Cd2+, and Hg2+were investigated with ab initio calculations using Hartree-Fock approximation and second-order perturbation theory. The basis set used in this study is lanl2mb. The structure optim...

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Bibliographic Details
Main Authors: Yahmin Yahmin, Harno Dwi Pranowo, Ria Armunanto
Format: Article
Published: Universitas Gadjah Mada 2010-06-01
Series:Indonesian Journal of Chemistry
Online Access:https://jurnal.ugm.ac.id/ijc/article/view/21488