Novel calix[4]pyrrole assembly: Punctilious recognition of F- and Cu+2 ions

被引：15
作者：
Bhatt, Keyur D. [1 ]
Shah, Hemangini [2 ]
Modi, Krunal M. [3 ]
Kongor, Anita [3 ]
Panchal, Manthan [3 ]
Jain, Vinod K. [3 ]
机构：
[1] Ganpat Univ, Dept Chem, Kherva 384012, India
[2] CU Shah Univ, Dept Chem, Wadhwan City 363030, India
[3] Gujarat Univ, Sch Sci, Dept Chem, Ahmadabad 380009, Gujarat, India
来源：
JOURNAL OF MOLECULAR STRUCTURE | 2017年 / 1149卷
关键词：
Calix[4]pyrrole; Colorimetric sensor; Spectrophotometric titration; Molecular docking; SUPRAMOLECULAR CHEMISTRY; HALIDE ANIONS; METAL-IONS; NANOPARTICLES; RECEPTORS; BINDING; CALIXPYRROLES; CHEMOSENSORS; SWITCHES; DOCKING;
D O I：
10.1016/j.molstruc.2017.08.006
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
A new tetra hydroxyl methoxy substituted calix[4]pyrrole (HMCP) has been synthesized and found to form stable complex with F-ions and Cu+2 ions. The red-shift in absorption band of HMCP was observed due to the presence of both cation (Cu+2) and anion (F-). These results displayed that formation of the complex is mainly attributed to the charge transfer interactions between HMCP with electron deficient pyrrole rings and the electron-rich guest ions. Molecular dynamics simulation predicts intermolecular H bonds and van der Waals types of interaction for the complex formation of HMCP-Cu+2 and HMCP-F. (C) 2017 Elsevier B.V. All rights reserved.
引用
收藏
页码：299 / 306
页数：8
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