Extraction Behavior and Computational Modeling of Na (I) Ions by a Carboxylic Calix [4] arene

DOI Web Site 12 References
  • UEZU Kazuya
    Department of Chemical Processes and Environments, Faculty of Environmental Engineering, The University of Kitakyushu
  • KUBOTA Fukiko
    Department of Applied Chemistry, Graduate School of Engineering, Kyushu University
  • GOTO Masahiro
    Department of Applied Chemistry, Graduate School of Engineering, Kyushu University

Bibliographic Information

Other Title
  • カリックス [4] アレーンによるアルカリ金属イオンの抽出挙動と計算化学
  • カリックス 4 アレーン ニ ヨル アルカリ キンゾク イオン ノ チュウシュツ キョドウ ト ケイサン カガク

Search this article

Abstract

A calix [4] arene carboxylic acid derivative was utilized as an extractant for alkaline metal ion separation. The host compound exhibited a high extractability to sodium ion compared to lithium ion and potassium ion. We also discussed the experimental results with a computational modeling by means of semi-empirical and ab initio molecular orbital methods. From the molecular geometries and heat of formation of the calix [4] arene derivative before and after extraction, the important factors for alkaline metal ion separation were found to be its cyclic structure and its cavity size.

Journal

References(12)*help

See more

Related Projects

See more

Keywords

Details 詳細情報について

Report a problem

Back to top