Metadata of CSIR Papers
View Archive Info| Field | Value | |
| Creator |
Aleskovic, M
Basaric, N Mlinaric-Majerski, K Molcanov, K Kojic-Prodic, B Kesharwani, MK Ganguly, B |
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| Subject |
Chemistry
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| Description |
Adamantane-dipyrromethane (AdD) receptors [di(pyrrole-2-yl)methyladamantane (1), 2,2-di(pyrrole-2-yl)adamantane (2). 1,3-bis[di(pyrrole-2-yl)methyl]adamantane (3). 2,2,6,6-tetra(pyrrole-2-yl)adamantane (4)] form complexes with F(-), Cl(-), Br(-), AcO(-), NO(3)(-), HSO(4)(-), and H(2)PO(4)(-) The association constants of the complexes were determined by (1)H NMR titrations, whereas the geometries of complexes 1 F(-) (2 1), 2 F(-) (2 1), 2 Cl(-) (2 1), 2 AcO(-) (2 1), and 4 F(-) (1 1) were determined by X-ray structural analysis The most stable complexes are of 2 1 stoichiometry with F(-) and AcO(-) The stability constants are in accordance with the anion basicity and the ability of AdD receptors to place the hydrogen bonding donor groups in a tetrahedral fashion around anions The binding energies of the complexes between receptors 1-4 and F(-) anion are calculated using quantum chemical methods The calculated results show that the solvent polarity is important for the complexation of fluoride ion with AdD receptors 1-4 (C) 2010 Elsevier Ltd All rights reserved
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| Publisher |
PERGAMON-ELSEVIER SCIENCE LTDOXFORDTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
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| Date |
2011-09-20T12:03:22Z
2011-09-20T12:03:22Z 2010 |
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| Type |
Article
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| Identifier |
TETRAHEDRON
0040-4020 http://hdl.handle.net/123456789/12299 |
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| Language |
English
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