Synthesis, characterization, X‐ray structure, electrochemistry, photocatalytic activity and DFT studies of heterotrinuclear Ni(II), Pd(II) and Zn(II) complexes containing a formylferrocene thiosemicarbazone ligand. (17th August 2020)

• Record Type: Journal Article
• Authors: Chung, Patricio; Huentupil, Yosselin; Rabanal, Walter; Cisterna, Jonathan; Brito, Iván; Arancibia, Rodrigo
• Is Part Of: Applied organometallic chemistry. Volume 34:Number 12(2020)
• Page Start: n/a
• Page End: n/a
• Publication Date: 2020-08-17
• Subjects: formylferrocene thiosemicarbazone complexes -- methylene blue dye -- photocatalytic activity -- theoretical studies -- X‐ray; Organometallic chemistry -- Periodicals; Organometallic compounds -- Periodicals; 547.05
• DOI: 10.1002/aoc.5974
• Languages: English
• ISSNs: 0268-2605

Abstract

Abstract : Three complexes of the general formula M{CpFe( η 5 ‐C5 H4 CH=N–N=C(S)NH2 }2 [where M = Ni II (2a ), Pd II (2b ) and Zn II (2c )] were synthesized with formylferrocene thiosemicarbazone (1 ) as a bidentate ligand. All compounds were characterized using conventional spectroscopic and analytical techniques (infrared, 1 H and 13 C NMR, mass spectrometry and elemental analysis). The molecular structure of 2b was confirmed by single‐crystal X‐ray analysis. To study the photocatalytic activity of the new complexes (2a–c ), methylene blue (MB) was selected as a model pollutant. After 180 min, the degradation efficiency of MB reached 87% for 2a, 76% for 2b and 85% for 2c, and all complexes showed a higher photocatalytic activity than the formylferrocene thiosemicarbazone free ligand 1 . Theoretical studies were used to characterize the geometry and electronic structure of the compounds and to provide a rational explanation for the measured photocatalytic activity. Abstract : In this work, three complexes of the general formula M{CpFe( 5 ‐C5 H4 CH=N–N=C(S)NH2 }2 [where M = Ni II (2a ), Pd II (2b ) and Zn II (2c )] were synthesized and fully characterized. The photocatalytic activity of the new complexes was studied using methylene blue dye as a model pollutant. Electrochemical and theoretical studies were carried out to provide a rational explanation for the measured photocatalytic activity.