1999 Fiscal Year Final Research Report Summary
DEVELOPMENT OF HIGHLY EFFICIENT SEPARATION SYSTEM BY USING MOLECULAR AND ION RECOGNITION BY CALIXARENE COMPOUNDS
| Project/Area Number |
09450293
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| Research Category |
Grant-in-Aid for Scientific Research (B)
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| Allocation Type | Single-year Grants |
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| Section | 一般 |
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| Research Field |
反応・分離工学
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| Research Institution | Saga University |
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Principal Investigator |
INOUE Katsutoshi SAGA UNIVERSITY, DEPARTMENT OF APPLIED CHEMISTRY, PROFESSOR, 理工学部, 教授 (90039280)
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| Co-Investigator(Kenkyū-buntansha) |
OHTO Keisuke SAGA UNIVERSITY, DEPARTMENT OF APPLIED CHEMISTRY, RESEARCH ASSOCIATE, 理工学部, 助手 (70243996)
YOSHIZUKA Kazuharu SAGA UNIVERSITY, DEPARTMENT OF APPLIED CHEMISTRY, ASSOCIATE PROFESSOR, 理工学部, 助教授 (70191567)
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| Project Period (FY) |
1997 – 1999
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| Keywords | calixarene / ion recognition / computor chemistry / host-guest chemistry / metal ions / calixarene resin / lead ion / adsorption |
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| Research Abstract |
p-tert-octylcalix[4] arene and its monomeric analogue were synthesized to examine and compare their extraction behaviors for various metal ions, especially for lead ion. Lead was selectively extracted over iron(III) with the the former while reverse was the case with the latter reagent. From various experimental result of the extraction of different metal ions, it was elucidated that two lead ions are extracted by unit molecule of calix[4]arene carboxylate, which was confirmed by chemical shifts of H-NMR spectra before and after the extraction of lead ion.
A molecular mechanics force field for lanthanoid complexes coordinated to organophosphates and calixarene compounds together with aqua ligands was presented. The ligand-metal-ligand (L-M-L) bending interaction are modeled with 1,3-nonbonded interaction and a harmonic M-L stretching potential was used for the stretching modes. There was good overall agreement between the observed and the calculated structural parameters. The calculatio
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ns also indicated that a quantitative structure property relationship (QSPR) may be obtained, which relates the complexation strain energy difference between the lanthanoid cations and La (III) with their relative extractability. Thus, molecular mechanics was found to be an efficient tool for the molecular design of organophosphorus and calixarene ligands with metal ion specific lanthanoid(III) extractability properties.
A basic investigation on solvent extraction of catecholamines such as dopamine, adrenaline and noradrenaline from dilute hydrochloric acid was conducted using D2EHPA in chloriform, hexane and toluene. The stoichiometric relationship and equilibrium constants of the extraction reactions were evaluated. The quantitative structure property relationship of the equilibrium constant for each organic diluent was discussed using molecular modeling with semi-emperical molecular orbital calculations taking account of the diluent effect.
New resin of calix[4]arenecarboxylate was synthesized from its monomeric units with no alkyl radicals by crosslinking using trioxane. High selectivity to lead and ferric ions were observed. The maximum adsorption capacity for lead was 2.44 mol/kg, which is nearly the same values of commercial chelating resins. Excellent mutual separation and concentration of lead away from zinc was achieved by using a column packed with this resin. Less
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