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A half‐salamo‐based pyridine‐containing ligand and its novel Ni II complexes including different auxiliary ligands: syntheses, structures, fluorescence properties, DFT calculations and Hirshfeld surface analysis
Author(s) -
Feng Tao,
Li Li-Li,
Li Ya-Juan,
Dong Wen-Kui
Publication year - 2021
Publication title -
acta crystallographica section b
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.604
H-Index - 33
ISSN - 2052-5206
DOI - 10.1107/s2052520620016157
Subject(s) - chemistry , ligand (biochemistry) , pyridine , crystallography , nickel , dimer , density functional theory , octahedron , dicyanamide , octahedral molecular geometry , crystal structure , stereochemistry , medicinal chemistry , computational chemistry , catalysis , biochemistry , ionic liquid , receptor , organic chemistry
Three novel multinuclear Ni II complexes, namely, bis{μ‐2‐methoxy‐6‐[8‐(pyridin‐2‐yl)‐3,6‐dioxa‐2,7‐diazaocta‐1,7‐dien‐1‐yl]phenolato}bis[thiocyanatonickel(II)], [Ni 2 ( L ) 2 (NCS) 2 ], 1 , bis{μ‐2‐methoxy‐6‐[8‐(pyridin‐2‐yl)‐3,6‐dioxa‐2,7‐diazaocta‐1,7‐dien‐1‐yl]phenolato}bis[azidonickel(II)], [Ni 2 ( L ) 2 (N 3 ) 2 ], 2 , and catena ‐poly[[{2‐methoxy‐6‐[8‐(pyridin‐2‐yl)‐3,6‐dioxa‐2,7‐diazaocta‐1,7‐dien‐1‐yl]phenolato}nickel(II)]‐μ‐dicyanamidato], [Ni( L )(dca)] n , 3 {dca is dicyanamide, C 2 N 3 , and H L is 2‐methoxy‐6‐[8‐(pyridin‐2‐yl)‐3,6‐dioxa‐2,7‐diazaocta‐1,7‐dien‐1‐yl]phenol, C 16 H 17 N 3 O 4 }, with a half‐salamo‐based pyridine‐containing H L ligand have been synthesized and characterized by FT–IR, UV–Vis absorption spectroscopy, X‐ray crystallography, Hirshfeld surface analysis and density functional theory (DFT) calculations. The central Ni II ions in complexes 1 – 3 are hosted in the half‐salamo‐based N 3 O‐donor cavity of the organic ligand. Complex 1 is a centrosymmetric dimer and two [Ni( L )(NCS)] units form a centrosymmetric dimeric structure, which is bridged by two phenolate O atoms. The two N atoms at the axial ends are provided by two NCS − ligands. In complex 1 , each Ni II ion has a six‐coordinated octahedral geometry. Complex 2 is similar to 1 , but they differ in that the auxiliary NCS − ligand is replaced by N 3 − . However, complex 3 is a one‐dimensional coordination polymer constructed from [Ni( L )(dca)] units, which are connected by the auxiliary bidentate dca ligand via N ‐donor atoms. As with complexes 1 and 2 , the Ni II ion in 3 has a six‐coordinated octahedral geometry.