Synthesis, Crystal Structure, Fluorescence Property, and Theoretical Investigation of Counteranion-Introduced Ni(II) Complex with Pyridine-Appended Half-Salamo-Like Ligand

A new counteranion-introduced Ni(II) complex, [Ni(L)(NCS)(EtOH)] supported by a pyridine-appended half-salamo-like ligand HL has been successfully obtained. The composition and structure of this Ni(II) complex were characterized by single-crystal X-ray diffraction, elemental analysis, infrared and u...

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Published in:Russian journal of inorganic chemistry 2023-09, Vol.68 (9), p.1293-1302
Main Authors: Li, L., Ma, C.-Y., Hu, Z.-F., Yan, Y.-J., Han, X.-J., Dong, W.-K.
Format: Article
Language:English
Subjects:
Chemistry
Chemistry and Materials Science
Coordination Compounds
Crystal structure
Density functional theory
Fluorescence
Infrared analysis
Inorganic Chemistry
Ligands
Mathematical analysis
Pyridines
Single crystals
Surface analysis (chemical)
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container_issue 9
container_start_page 1293
container_title Russian journal of inorganic chemistry
container_volume 68
creator Li, L.
Ma, C.-Y.
Hu, Z.-F.
Yan, Y.-J.
Han, X.-J.
Dong, W.-K.
description A new counteranion-introduced Ni(II) complex, [Ni(L)(NCS)(EtOH)] supported by a pyridine-appended half-salamo-like ligand HL has been successfully obtained. The composition and structure of this Ni(II) complex were characterized by single-crystal X-ray diffraction, elemental analysis, infrared and ultraviolet spectroscopy. The coordinated atom forms octahedral environment of Ni(II) atom. As a potential luminescent material, the fluorescence properties of HL and its Ni(II) complex were investigated. In addition, density functional theory (DFT) calculations and Hirshfeld surface analysis of HL and Ni(II) complex were performed. Meanwhile, the interaction region indication (IRI) map of the Ni(II) complex was calculated by theoretical study, and the distribution of interaction forces in the molecular system of the Ni(II) complex was studied.
doi_str_mv 10.1134/S0036023623601198
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subjects Chemistry
Chemistry and Materials Science
Coordination Compounds
Crystal structure
Density functional theory
Fluorescence
Infrared analysis
Inorganic Chemistry
Ligands
Mathematical analysis
Pyridines
Single crystals
Surface analysis (chemical)
title Synthesis, Crystal Structure, Fluorescence Property, and Theoretical Investigation of Counteranion-Introduced Ni(II) Complex with Pyridine-Appended Half-Salamo-Like Ligand
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