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AUTHOR(S): Vahobjon Kh. Sabirov
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TITLE Crystal Structure of Tetrachloride Ferrate (Iii) Complex With Methylene Blue |
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ABSTRACT Crystal structure of tetrachloride ferrate (III) complex of methylene blue, [MB]+[FeCl4]– (where [MB]+ methylthioninium or 3,7-bis(dimethylamino)-phenothiazine-5-ium cation), has been prepared by mechanochemical way and studied by the single crystal X-ray crystallography. The crystal structure of title compound is built from by [FeCl4]2- tetrahedral ion and planar [MB]+ counter ions. The [MB]+ cations stacked in an antiparallel fashion with the sulfur atom disposed alternatively on an opposite sides. A dihedral angle between planes of the two adjacent MB+ cations equal to 2.6(1)o. The centroid–centroid distances between stacked MB+ cations vary in the range of 3.609 (2) and 3.802 (2) Å. The [MB]+ cations are connected in the 3D network by the C–H···Cl hydrogen bonds. Details of short contacts were analyzed by 3D Hirshfeld surfaces and 2D fingerprint plots. Intermolecular interaction energy between two adjacent MB+ cations was calculated using two CE-B3LYP/6-31G (d,p) theoretical level. |
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KEYWORDS ferrate (III); methylene blue; π-π stacking; Hirschfeld surfaces |
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Cite this paper Vahobjon Kh. Sabirov. (2023) Crystal Structure of Tetrachloride Ferrate (Iii) Complex With Methylene Blue. International Journal of Chemistry and Chemical Engineering Systems, 8, 66-74 |
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