A computational,X-ray crystallographic and thermal stability analysis of TETROL and its pyridine and methylpyridine inclusion complexes |
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Authors: | Benita Barton Mino R Caira Eric C Hosten Cedric W McCleland |
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Institution: | 1. Department of Chemistry, PO Box 77000, Nelson Mandela Metropolitan University, Port Elizabeth 6031, South Africa;2. Department of Chemistry, University of Cape Town, Rondebosch 7701, South Africa |
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Abstract: | The identification and application of (+)-(2R,3R)-1,1,4,4-tetraphenylbutane-1,2,3,4-tetrol (TETROL) as an efficient and selective host compound is described. Computational and single crystal X-ray diffraction analyses revealed that the butane backbone of TETROL adopts a relatively rigid anti-conformation, with the hydroxy groups oriented syn and connected through a cyclic, homodromic arrangement of their O–H bonds. This structure is stabilised through a pair of 1,3-hydrogen bonding interactions. TETROL forms inclusion complexes with pyridine and 3- and 4-methylpyridine, and does so selectively from mixtures of the pyridines. X-ray diffraction (single crystal and powder) and thermal analyses of the inclusion compounds are described. |
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Keywords: | Host&ndash guest chemistry Inclusion TETROL Methylpyridine |
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