Cation-π interaction of the univalent silver cation with meso-octamethylcalix[4]pyrrole: Experimental and theoretical study

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• 作者：Miroslav Polá ; &scaron ; ek^a ; Jaroslav Kví ; čala^b ; Emanuel Makrlí ; k^c ; ^{makrlik@centrum.cz} ; Věra Kří ; žová ; ^a ; Petr Vaňura^b
• 关键词：Silver cation ; meso-Octamethylcalix[4]pyrrole ; Complexation ; DFT calculations ; Structures
• 刊名：Journal of Molecular Structure
• 出版年：2017
• 出版时间：15 February 2017
• 年：2017
• 卷：1130
• 期：Complete
• 页码：408-413
• 全文大小：1814 K
• 卷排序：1130

文摘

Electrospray ionization mass spectrometry was used for characterization of interaction between Ag+ and meso-octamethylcalix[4]pyrrole (1). Cation Ag+ forms with ligand 1 the complex 1·Ag+. By employing DFT calculations, four conformations of 1·Ag+ were derived. Ligand 1 can be considered as a macrocyclic receptor for Ag+.