Template synthesis of a rare 14-membered macrocyclic complex using cadmium(II) ion as a collector

被引:0
作者
Dorjani, Sima [1 ]
Mardani, Zahra [1 ]
Moeini, Keyvan [2 ]
Carpenter-Warren, Cameron [3 ]
机构
[1] Urmia Univ, Fac Chem, Inorgan Chem Dept, Orumiyeh 5756151818, Iran
[2] Payame Noor Univ, Chem Dept, Tehran 193954697, Iran
[3] Univ St Andrews, EaStCHEM Sch Chem, St Andrews KY16 9ST, Fife, Scotland
关键词
14-Membered macrocycle; Cadmium; Diazacyclam; CSD; DFT; CRYSTAL-STRUCTURE; MOLECULAR-STRUCTURE; COORDINATION; LIGAND; POLYAZA; CD(II); ZN(II); CYCLAM; NI(II);
D O I
10.1007/s10847-022-01136-3
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
In this work, a new macrocyclic cadmium complex, [Cd(ACE)I](2)[CdI4] (1); ACE: 1,3,6,10,12,15-hexaazatricyclo[13.3.1.1(6,10)]eicosane, was prepared by template method and characterized by elemental analysis, FT-IR spectroscopy and single-crystal X-ray diffraction. Structural analysis of the complex 1 revealed an ionic complex containing two cadmium atoms with tetrahedral (in anionic portion) and square-pyramidal (in cationic portion) geometries. Using the DFT calculations, thermodynamic stability of the first-row and group 12 metal complexes containing ACE ligand was investigated and then validated by comparing with the CSD analogues. Charge distribution pattern of ACE ligand was compared with cationic unit of 1 by NBO analysis to study of the charge variation of ligand after complexation. [GRAPHICS] .
引用
收藏
页码:523 / 531
页数:9
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