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Structural characterization for metal-ion complexation and isomerization of crowned bis(spirobenzopyran)s

Paper ID Volume ID Publish Year Pages File Format Full-Text
28495 44077 2008 5 PDF Available
Title
Structural characterization for metal-ion complexation and isomerization of crowned bis(spirobenzopyran)s
Abstract

Metal ion complexes of crown ether derivatives bearing two spirobenzopyran moieties were synthesized and their structural features were studied by X-ray crystallography and NMR spectroscopy. The resulting X-ray crystal structure for the Ca2+ complex of diaza-12-crown-4-bis(spirobenzopyran) showed that both of two spirobenzopyran moieties were isomerized from their spiropyran forms to the corresponding merocyanine forms and their phenolate anions interacted with Ca2+ bound to its crown ether moiety. The crystal structure also revealed its syn conformation whose two spirobenzopyran moieties oriented on the same side of the crown ether moiety. Furthermore, density functional theories (DFT) calculations were carried out in order to predict energetically stable conformation of diaza-18-crown-6-bis(spirobenzopyran).

Keywords
Crowned bis(spirobenzopyran); Isomerization; Metal ion complex; Crystal structure; DFT calculation
First Page Preview
Structural characterization for metal-ion complexation and isomerization of crowned bis(spirobenzopyran)s
Publisher
Database: Elsevier - ScienceDirect
Journal: Journal of Photochemistry and Photobiology A: Chemistry - Volume 200, Issue 1, 15 November 2008, Pages 96–100
Authors
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Subjects
Physical Sciences and Engineering Chemical Engineering Bioengineering