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Molecular recognition in the solid state: crystal structure studies of selected inclusion compounds of host molecules with roof-shaped skeleton
Stockholm University, Faculty of Science, Department of Physical, Inorganic and Structural Chemistry, Structural Chemistry.
1998 (English)Doctoral thesis, comprehensive summary (Other academic)
Abstract [en]

This survey presents the results of single-crystal X-ray diffraction investigations of nine selected organic heteromolecular complexes in terms of the molecular recognition concept. The host molecules of the studied inclusion compounds have the 9,10-dihydro-9,10-ethanoanthracene moiety in common, to which various sensor groups possessing both proton donor and acceptor abilities are attached. The guests are small, uncharged organic molecules with different capabilities for hydrogen bonding. The present studies have provided information about non-covalent interactions in heteromolecular crystals and have evidenced the existence of a compromise/balance between the requirements of dense packing and directional-dependent intermolecular interactions. It has been shown that even supposedly weak interactions may play a structure-determining role in the absence of stronger intermolecular forces. The use of graph sets in the description of the observed hydrogen bonding patterns was found to be an efficient tool in the visualization of their common and different features. The geometry of the studied host molecules may be affected by the host/guest or host/host recognition modes. The observed conformational flexibility of the host molecules seems to be one of the factors responsible for their clathrate formation capability.

Place, publisher, year, edition, pages
Stockholm: Department of Structural Chemistry, Stockholm University , 1998. , 96 p.
National Category
Chemical Sciences
Research subject
Structural Chemistry
URN: urn:nbn:se:su:diva-37184ISBN: 91-7153-697-3OAI: diva2:294115
Public defence
1998-02-13, Magnéli-salen, KÖL, Frescati, Stockholm, 10:00 (English)
Härtill 5 uppsatser Available from: 2010-02-16 Created: 2010-02-16 Last updated: 2010-11-09Bibliographically approved

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ReferencesLink to record
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