Concave reagents. Part 27. Steric requirements of intraannular substituents in A,D-bridged calix[6]arenes

A series of A,D-m-xylylene bridged calix[6]arenes 5 carrying substituents of different size in 2-position of the bridge have been investigated by dynamic NMR spectroscopy and by force field methods. Molecular mechanics calculations indicate a bean shaped conformation as the global energy minimum in...

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Bibliographic Details
Published inPerkin transactions. 2 no. 6; pp. 1313 - 1317
Main Authors Luning, U, Ross, H, Thondorf
Format Journal Article
LanguageEnglish
Published CAMBRIDGE Royal Soc Chemistry 01.06.1998
Subjects
Chemistry
Chemistry, Organic
Chemistry, Physical
Physical Sciences
Science & Technology
CYCLIC COMPOUNDS
HYDROCARBONS
SPECTROSCOPY
NUCLEAR MAGNETIC RESONANCE
FUNCTIONALITY
BRIDGED CALIX ARENES
INTERNAL-ROTATION
MM3 FORCE-FIELD
MOLECULAR MECHANICS
INNER ATOMS
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Summary:A series of A,D-m-xylylene bridged calix[6]arenes 5 carrying substituents of different size in 2-position of the bridge have been investigated by dynamic NMR spectroscopy and by force field methods. Molecular mechanics calculations indicate a bean shaped conformation as the global energy minimum in which the calixarene scaffold adopts a half-pinched/half-winged arrangement.
ISSN:0300-9580
DOI:10.1039/a801761a