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Dipole moments can be used to determine the conformation of calix[4]arenes

✍ Scribed by Javier de Mendoza; Pilar Prados; Nuria Campillo; Pedro M. Nieto; Concha Sáchez; Jean-Pierre Fayet; Marie Claire Vertut; Carlos Jaime; José Elguero

Publisher
Elsevier Science
Year
2010
Tongue
English
Weight
258 KB
Volume
112
Category
Article
ISSN
0165-0513

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✦ Synopsis

Abstract

Experimental dipole moments for nine calix[4]arenes of known conformation are reported. An additive model, based on MNDO calculations, has been used to discuss these values, as well as three reported other dipole moments. It appears that a combination of calculated dipole moments of the aromatic fragments and experimental values can be used to determine the preferred conformation of calix[4]arenes in solution.

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