Synthesis and characterization of Cu(II) complexes supported by a pyridylamide ligand

被引:0
|
作者
Mugenzi, Clement [1 ]
Powell, Douglas R. [2 ]
Gerasimchuk, Nikolay N. [3 ]
Rowe, Gerard T. [4 ]
Yang, Lei [1 ]
机构
[1] Univ Cent Arkansas, Dept Chem, Conway, AR 72035 USA
[2] Univ Oklahoma, Dept Chem & Biochem, Norman, OK 73019 USA
[3] Missouri State Univ, Dept Chem, Springfield, MO 65897 USA
[4] Univ South Carolina, Dept Chem & Phys, Aiken, SC 29801 USA
关键词
Pyridylamide ligand; Copper complexes; Crystal structures; Spectroscopy; DFT calculation; ELECTRON-SPIN-RESONANCE; COPPER(II) COMPLEXES; DENSITY FUNCTIONALS; CRYSTAL-STRUCTURES; METAL-COMPLEXES; BASIS-SETS; COORDINATION; PYRIDINE; SPECTROSCOPY; SPECTRA;
D O I
10.1016/j.molstruc.2024.138536
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
In our effort to understand the impact of ligand platforms on the structure diversity and chemical properties of copper clusters, a tripod pyridylamide ligand H3tpmbc was used in this work. Two one-dimensional polymeric Cu(II) complexes [Cu(H3tpmbc)Cl2]n (1) and [Cu2(H3tpmbc)Cl4]n (2) were isolated and characterized. X-ray crystallography analysis showed that both structures have a similar one-dimensional backbone. The main structure difference of the two complexes is the presence of a second Cu(II) site in complex 2. Hirshfeld analysis revealed the presence of interesting C-H & sdot;& sdot;& sdot;pi and pi & sdot;& sdot;& sdot;pi interaction networks in both complexes. Spectroscopic characterization of both complexes and [CuPyCl2] suggests the source of the color difference between the two polymers at the solid state. Computational studies based on the X-ray crystal structures were performed and the results provided a deeper understanding of the electronic structures of the Cu(II) site(s) in both complexes. Thermal gravimetric analysis (TGA) demonstrated that the two complexes have the similar thermal behavior, and this could be attributed to the similar one-dimensional backbone structure.
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页数:13
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