Cyclic polylactones and their cyclic polyorthoester valence tautomers: Potential ionophores

McGeary, RP and Bruget, DN (2000) Cyclic polylactones and their cyclic polyorthoester valence tautomers: Potential ionophores. Tetrahedron, 56 44: 8703-8713. doi:10.1016/S0040-4020(00)00724-9


Author McGeary, RP
Bruget, DN
Title Cyclic polylactones and their cyclic polyorthoester valence tautomers: Potential ionophores
Journal name Tetrahedron   Check publisher's open access policy
ISSN 0040-4020
Publication date 2000
Sub-type Article (original research)
DOI 10.1016/S0040-4020(00)00724-9
Volume 56
Issue 44
Start page 8703
End page 8713
Total pages 11
Editor R.O.K. Taylor
Place of publication Oxford
Publisher Pergamon Press
Collection year 2000
Language eng
Subject C1
250101 Chemical Thermodynamics and Energetics
780103 Chemical sciences
Abstract The geometries and energies of the cyclic hexamer (9) of glycolic acid, and its polycyclic orthoester valence tautomer (10) have been studied by ab initio molecular orbital calculations at the HF/6-31G* and MP2//F/6-31G* levels of theory. Both molecules are preorganised to bind metal ions in both endohedral and exohedral modes. The binding of 9 and 10 with Li+, Na+, K+, Be2+, Mg2+, B3+ and Al3+ have been examined, and the energies and geometries of the resulting complexes are discussed. (C) 2000 Elsevier Science Ltd. All rights reserved.
Keyword Chemistry, Organic
Polycyclic Aliphatic Compounds
Macrocycles
Ionophores
Theoretical Studies
Solid-phase Synthesis
Starands
Orthocyclophanes
<1(6)>starand
Depsipeptides
Ketonands
Depsides
Moiety
Q-Index Code C1

Document type: Journal Article
Sub-type: Article (original research)
Collection: School of Chemistry and Molecular Biosciences
 
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Created: Tue, 10 Jun 2008, 11:45:27 EST