MOLECULAR-DYNAMICS STUDY OF THE COMPLEXATION OF LUMINESCENT CATIONS BY ENCAPSULATING LIGANDS WITH BIPYRIDINE UNITS

Authors
FRATERNALI F WIPFF G
Citation
F. Fraternali et G. Wipff, MOLECULAR-DYNAMICS STUDY OF THE COMPLEXATION OF LUMINESCENT CATIONS BY ENCAPSULATING LIGANDS WITH BIPYRIDINE UNITS, Journal of physical organic chemistry, 10(5), 1997, pp. 292-304
Citations number
56
Categorie Soggetti
Chemistry Physical","Chemistry Inorganic & Nuclear
Journal title
Journal of physical organic chemistry → ACNP
ISSN journal
08943230
Volume
10
Issue
5
Year of publication
1997
Pages
292 - 304
Database
ISI
SICI code
0894-3230(1997)10:5<292:MSOTCO>2.0.ZU;2-9
Abstract
Based on MD simulations, the structures of Eu3+ and EuCl3 complexes of bipyridine-substituted calixarenes in different environments (itt vac uo and in acetonitrile and water solutions) were modelled. The data ac count for the differences in their luminescence properties. The role o f the calixarene platform, preorganization of the ligands, and an expl icit account of counterions In different environments are analysed. (C ) 1997 by John Wiley & Sons, Ltd.