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Do pentaurea calix[5]arenes form hydrogen bonded dimeric capsules?

Authors :
Susan E. Matthews
Iris Thondorf
Volker Böhmer
Frank Broda
Myroslav O. Vysotsky
Oliver Mogck
Source :
Journal of Structural Chemistry. 46:S39-S45
Publication Year :
2005
Publisher :
Springer Science and Business Media LLC, 2005.

Abstract

Calix[5]arenes substituted at their wider rim by five urea residues do not form hydrogen bonded dimeric capsules in aprotic, apolar solvents, in contrast to their calix[4]arene analogs, although molecular dynamic simulations predict very similar geometrical parameters for both cases. The reason for this different behavior is most probably the higher energetic cost which must be paid to arrange the calix[5]arene skeleton in the C 5-symmetrical conformation required for the dimerization.

Details

ISSN :
15738779 and 00224766
Volume :
46
Database :
OpenAIRE
Journal :
Journal of Structural Chemistry
Accession number :
edsair.doi...........c2dae97485ff23ebd4122fc022a8cd6e
Full Text :
https://doi.org/10.1007/s10947-006-0149-3