The formation of endo-complexes between calixarenes and amines - a reinvestigation

Puchta R, Clark T, Bauer W (2006)

Publication Status: Published

Publication Type: Journal article

Publication year: 2006

Journal

Journal of Molecular Modeling Springer Verlag (Germany)

Publisher: Springer Verlag (Germany)

Book Volume: 12

Pages Range: 739-747

Journal Issue: 5

DOI: 10.1007/s00894-005-0079-6

Abstract

The formation of an endo-complex between p-allylcalix[4]arene and t-butylamine was described by Gutsche in 1985. However, for a comparable system, it has been shown using NOE methods that the amine does not reside inside the calix. Instead, an exo-calix complex is formed. A reevaluation suggests that the previous conclusion is an artifact due to improper NMR-data processing. DFT (RB3LYP/6-31G(d)) calculations confirm the higher stability of the exo-complex over its endo-counterpart.

Authors with CRIS profile

Ralph Puchta Naturwissenschaftliche Fakultät Timothy Clark Computer-Chemie-Centrum Walter Bauer Lehrstuhl für Organische Chemie II

How to cite

APA:

Puchta, R., Clark, T., & Bauer, W. (2006). The formation of endo-complexes between calixarenes and amines - a reinvestigation. Journal of Molecular Modeling, 12(5), 739-747. https://doi.org/10.1007/s00894-005-0079-6

MLA:

Puchta, Ralph, Timothy Clark, and Walter Bauer. "The formation of endo-complexes between calixarenes and amines - a reinvestigation." Journal of Molecular Modeling 12.5 (2006): 739-747.

BibTeX: Download