• Bulletin of the Korean Chemical Society
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• 제24권5호
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• pp.674-676
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• 2003

• Bulletin of the Korean Chemical Society
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• 제17권7호
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• pp.643-647
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• 1996

1,2-Disubstituted chiral calix[4]arene "25-(3,5-dinitrobenzoyloxy)-26-methoxy-27,28-dihydroxycalix[4]arene" was synthesized by the reaction of 25-(3,5-dinitrobenzoyloxy)-calix[4]arene with methyl iodide in the presence of K2CO3. Methylation was occurred at the 26-position of calix[4]arene. The partial cone conformation and 1,2-substitution were characterized based on the 1H NMR, 13C NMR and X-ray diffraction analysis. The crystal structure has been determined by X-ray diffraction method. The crystals are orthorhombic, Pbca, a=10.652(1), b=17.687(1), c=32.247(3) Å, Z=8, V=6075.4(9) Å3, Dc=1.38gcm-3. The intensity data were collected on an Enraf-Nonius CAD-4 Diffractometer with a graphite monochromated Cu-Kα radiation. The structure was solved by direct method and refined by full-matrix least-squares methods to a final R value of 0.050 for 2368 observed reflections. The molecule is in the partial cone conformation. It has two strong intramolecular hydrogen bonds of O(1D)-H…O(1C)-H…O(1B).

• Bulletin of the Korean Chemical Society
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• 제23권8호
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• pp.1085-1088
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• 2002

Calix[6]arene having both carboxylic acid (1,3,5-) and carboxamide (2,4,6-) in an alternative way was synthesized. Transport rates of alkali and alkaline-earth metal ions were tested in bulk liquid membrane and polymer inclusion membrane. Ba2+ ion was found to give the highest transport rate among tested metal ions in both BLM and PIM systems. In PIM system, high durability (longer than 30 days) of the membrane was observed.

• 한국결정학회지
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• 제10권1호
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• pp.28-32
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• 1999

The title compound consisting of a calix[4]arene molecule with four phenyl rings arranged alternately in anti-orientation fashion, two propyloxy groups attached on the upper rim of calix[4]arene, and polyther chain with two phyenyl rings attached on the lower rim of calix[4]arene offers a big cavity inside a molecule with might a potential for forming host-guest complexes.

• Bulletin of the Korean Chemical Society
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• 제24권1호
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• pp.75-80
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• 2003

The structures and complexation energies of penta-O-alkylated 1b and penta-O-tert-butyl ester 1e of p-tert-butylcalix[5]arene and their simplified structures (2b and 2e) toward a series of alkyl ammonium guests have been calculated by a semi-empirical AM1 method. For AM1 calculations, complexation efficiencies of the simplified host 2e are very similar to the values of host 1e. The complexes of simplified host 2e with alkyl ammonium ions also have been optimized by ab initio HF/6-31G method. The calculated complexation efficiencies for 2e by ab initio method have been found to be bigger in magnitude than the values obtained by AM1 calculations for linear alkyl ammonium guests. Calculation results show that all of the calix[5]aryl derivatives investigated in this study have much better complexation ability toward ammonium cation without alkyl group compared with other alkyl ammonium guests. Ab initio calculations also well duplicate the molecular discriminating behaviors of calix[5]arene derivative 2e between butyl ammonium ions: $n-BuNH_3^+\;>\;iso-BuNH_3^+\;>\;sec-BuNH_3^+\;>\;tert-BuNH_3^+$.

• Bulletin of the Korean Chemical Society
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• 제24권12호
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• pp.1737-1741
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• 2003

Azo-functionalized calix[4]arenes as ionophores for chloride-selective electrode, 5,11,17,23-Tetra-tert-butyl-25,27-bis[(N,N-dimethyl-aniline-azo-phenylthioureido)ethyl]oxy-26,28-dihydroxycalix[4]arene (4a) and 5,11,17,23-Tetra-tert-butyl-25,27-bis[(N,N-dimethyl-aniline-azo-phenylthioureido)ethyl]oxy-26,28-dimethoxycalix[4]arene (4b) were synthesized. The PVC membrane electrode based on azo-functionalized calix[4]arene 4a with o-NPOE exhibits a linear stable response over a wide concentration range ($1.5{\times}10^{-4}-1.0{\times}10^{-1}$) with a slope of -52.0 mV/decade and a detection limit of log[$Cl^-$] = -4.02. This ionophore-based membrane exhibited improved selectivity for chloride anion compared with classical Hofmeister series.

• Bulletin of the Korean Chemical Society
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• 제17권9호
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• pp.869-872
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• 1996

• Bulletin of the Korean Chemical Society
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• 제17권5호
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• pp.447-452
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• 1996

Three conformational isomers of calix[4]arene butanoate were isolated from the reaction of calix[4]arene and butanoyl chloride in the presence of NaH and their structures were determined by NMR spectra as 1,2-alternate 2a, partial cone 2b and 1,3-alternate conformer 2c, respectively. The crystal structure of 2a has been determined by X-ray diffraction method. The crystals are monoclinic, space group C2/c, a=18.435 (4), b=13.774 (2), c=16.941 (3) Å, β=116.23 (1)°, Z=4, V=3858.8 (12)Å3, Dc=1.21 g cm-3, Dm=1.21 g cm-3. The molecule is in the 1,2-alternate conformation. It has two-fold symmetry axis along the line connecting between C (7AA') and C (7BB') parallel to the b axis of crystal lattice.

• Bulletin of the Korean Chemical Society
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• 제25권2호
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• pp.190-194
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• 2004

The structures and complexation energies of penta-O-tert-butyl ester 1 of p-tert-butylcalix[5]arene toward a series of alkyl ammonium guests have been optimized by ab initio HF/6-31G method. The calculated complexation efficiencies of 1 for alkyl ammonium guests have been found to be similar to the values of previously reported debutylated-calix[5]arene 2. Calculation results show that both of the calix[5]aryl derivatives have much better complexation ability toward ammonium cation without alkyl group over other alkyl ammonium guests. The structural characteristics of the calculated complexes are discussed as a function of the nature of the alkyl substituents of the ammonium guests.

• Bulletin of the Korean Chemical Society
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• 제26권2호
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• pp.337-339
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• 2005