학술논문

Investigation of cation complexation behavior of azacrown ether substituted benzochromene.
Document Type
Article
Source
Journal of Physical Organic Chemistry. Jul2007, Vol. 20 Issue 7, p469-483. 15p. 15 Diagrams, 4 Charts, 4 Graphs.
Subject
*CATIONS
*MATHEMATICAL complexes
*MATHEMATICAL transformations
*ETHER (Anesthetic)
*ALKALINE earth oxides
Language
ISSN
0894-3230
Abstract
The study of the complex formation of 3,3-diphenyl-3H-benzo[f]chromenes containing aza-18-crown-6-ether, diaza-18-crown-6-ether or morpholine units with alkali, alkaline earth, heavy and transition metal cations in acetonitrile is reported. The spectroscopic and kinetic behavior of the photomerocyanine isomers of these chromenes is strongly affected by complexation with a metal cation. In order to interpret some of experimental data, an ab initio theoretical analysis of photochromic-crown ether and its cation complexes was conducted. The different site of coordination of mono- and divalent cations to determine the minimum-energy structure of benzochromene complexes in gas phase as well as in acetonitrile as solvent was explored. The coordination of both carbonyl oxygen and crown-ether macrocyle with divalent cations in carbonyl-capped structure is found to be the most stable isomer in gas as well as in condensed media. The crown-containing benzochromenes were studied in liquid-liquid extraction experiments toward there capacity to transfer metallic salts from water into an organic phase.The high selectivity to extraction of Ag+ was found. Copyright © 2007 John Wiley & Sons, Ltd. [ABSTRACT FROM AUTHOR]