The Inclusion of Carbon Disulfide in p-tert-Butylcalix[4]- and [6]arene Ð A Combined Crystallographic and Vibrational Spectroscopic Study
Jürgen Schatz
a, Frank Schildbach
a, Axel Lentz
b, Sylvia Rastätter
b, Joachim Schilling
b, Jörg Dormann
c, Andreas Ruoff
c, and Tony Debaerdemaeker
da Division of Organic Chemistry I
b Division of Inorganic Chemistry I
c Section of Vibrational Spectroscopy
d Section of Crystallography, University of Ulm, Albert-Einstein-Allee 11, D-89081 Ulm Reprint requests to Dr. Jürgen Schatz. Fax: (+49) 731 502 2803.
E-mail: juergen.schatz@chemie.uni-ulm.de
ZNaturforsch.55b,213Ð221 (2000); received November 16, 1999
p-tert-Butylcalixarenes, Inclusion Complexes, Crystal Structure, IR Data, Raman Data The inclusion complexes formed from carbon disulfide and p-tert-butylcalix[4]arene (1· CS2) or p-tert-butylcalix[6]arene (2· CS2) were investigated by X-ray crystal structure analysis, infrared (IR) and Raman spectroscopy. The complex1· CS2crystallises in the space groupP4/n,2· CS2in the space groupP21/n. In case ofp-tert-butylcalix[4]arene as host the carbon disulfide molecule is included in the cavity. In the crystal structure ofp-tert-butylcali- x[6]arene clathrate, self-complexation of one tert-butyl group in the cavity of another ca- lix[6]arene can be observed. Due to inclusion, the symmetry of CS2is lowered both in thep- tert-butylcalix[4]arene andp-tert-butylcalix[6]arene case causing significant shifts in the fully assigned infrared and Raman spectra.
