Document Server@UHasselt >
Research >
Research publications >

Please use this identifier to cite or link to this item: http://hdl.handle.net/1942/2935

Title: Inelastic neutron scattering spectroscopy of C-60@calix[8]arene
Authors: Paci, B
Caciuffo, R
Arduini, A.
Zerbetto, F
DELEUZE, Michael
Issue Date: 2000
Citation: MOLECULAR PHYSICS, 98(9). p. 567-572
Abstract: The vibrational dynamics of the p-tert-butylcalix[8]arene and the 1:1 inclusion complex C-60 @p-tert-butylcalix[8]arene are investigated by a combination of inelastic neutron scattering (INS) and MM3 molecular mechanics calculations. The results show that the isolated, single molecule approximation breaks down and is not sufficient to explain the features observed experimentally. The origin of the line broadening in the low energy region is discussed in terms of intermolecular interactions: this effect is sharper in the case of the complex with the C-60 molecule, due to the high number of co-conformers allowed by the mismatch between the circumferences of the host and the guest. The successful interpretation of the INS spectra validates the use of the model adopted.
Notes: CEA Saclay, DEIN, SPE Grp Composants Organ, LETI, F-91191 Gif Sur Yvette, France. Limburgs Univ Ctr, Dept SBG, B-3590 Diepenbeek, Belgium. Univ Ancona, Ist Nazl Fis Mat, I-60131 Ancona, Italy. Univ Ancona, Dipartimento Sci Mat Terra, I-60131 Ancona, Italy. Dipartimento Chim Organ & Ind, Santo Domingo 43100, Dominican Rep. Univ Bologna, Dipartimento Chim G Ciamician, I-40126 Bologna, Italy.Paci, B, CEA Saclay, DEIN, SPE Grp Composants Organ, LETI, F-91191 Gif Sur Yvette, France.
URI: http://hdl.handle.net/1942/2935
ISI #: 000086842600003
ISSN: 0026-8976
Category: A1
Type: Journal Contribution
Validation: ecoom, 2001
Appears in Collections: Research publications

Files in This Item:

There are no files associated with this item.

Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.