• Title/Summary/Keyword: calix[6]arene

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Conformational Characteristics of p-tert-Butylcalix[6]arene Mono-Alkyl Ester Derivatives

  • Yu, Hyo-Yeon;Seok, Da-Hyun;Chang, Suk-Kyu;Ahn, Sang-Doo;Chung, Kee-Choo
    • Journal of the Korean Magnetic Resonance Society
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    • v.14 no.2
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    • pp.144-153
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    • 2010
  • Conformational properties of several mono-alkyl ester derivatives of p-tert-butylcalix[6]arene depending on temperatures have been investigated by solution NMR spectroscopy. It is found out that all derivatives can adopt a cone-like conformation around room temperature, while the conformational characteristics at high temperatures seem to be quite different each other.

DFT Study of p-tert-Butylcalix[6]aryl Ester Complexed with Alkylammonium Ions

  • Kim, Kwang-Ho;Choe, Jong-In
    • Bulletin of the Korean Chemical Society
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    • v.30 no.3
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    • pp.589-594
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    • 2009
  • We have performed DFT B3LYP/6-31G(d,p) calculations to investigate the complexation behaviors of the ethyl ester derivative of p-tert-butylcalix[6]arene (1) toward a variety of alkylammonium ions. We have studied the binding sites of these host-guest complexes focusing on the p-tert-butylcalix[6]arene pocket (endo) of 1. The smaller alkylammonium cations have the better complexation efficiency than the bulkier alkylammonium ions with the p-tert-butylcalix[6]aryl ester. The hydrogen-bonding of N-H$\ldots$O is one of the important factors for the complexation behavior of the p-tert-butylcalix[6]aryl ester, in addition to the NH-aromatic π, CH-aromatic π and electrostatic interactions, and the steric hindrance of alkylammonium cation. The hydrogen-bonded distances and angles of N-H$\ldots$O are reported for the complexes of the p-tert-butylcalix[6]aryl ester with various alkylammonium ions.

Recovery of cesium ions from seawater using a porous silica-based ionic liquid impregnated adsorbent

  • Wu, Hao;Kudo, Tatsuya;Kim, Seong-Yun;Miwa, Misako;Matsuyama, Shigeo
    • Nuclear Engineering and Technology
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    • v.54 no.5
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    • pp.1597-1605
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    • 2022
  • A porous silica-based adsorbent was prepared by impregnating the pores of a silica support with the extractant 1,3-[(2,4-diethylheptylethoxy)oxy]-2,4-crown-6-calix[4]arene (Calix[4]arene-R14) and an additive agent 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide (C2mim + NTf-2) as the materials to remove cesium(I) (Cs+) ions from seawater. The as-prepared adsorbent showed excellent adsorption performance toward Cs+ ions, with adsorption equilibrium reached within 2 h and an adsorption amount of 0.196 mmol/g observed. The solution pH, temperature, and the presence of coexisting metal ions were found to have almost no effect on Cs+ adsorption. The adsorption mechanism was considered to proceed via ion exchange between Cs+ and C2mim+. In addition, the particle-induced X-ray emission analysis results further clarified that the adsorbed Cs+ ion species on the adsorbent was in the form of both CsCl and CsBr.