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Four and six-coordinated cobalt complexes based on thiosemicarbazone. Formation, experimental and theoretical characterization   
Yazarlar
Buşra Kaya
İstanbul Üniversitesi-Cerrahpaşa, Türkiye
Doç. Dr. Tuncay KARAKURT
Kırşehir Ahi Evran Üniversitesi, Türkiye
Onur Şahin
Sinop Üniversitesi, Türkiye
Bahri Ülküseven
İstanbul Üniversitesi-Cerrahpaşa, Türkiye
Özet
The template reaction was performed between benzoylacetone-S-propylthiosemicarbazone and salicylaldehyde in the presence of Co(ClO4)(2) and a square planar cobalt(II) complex, [Co(L)] (Co1) where L is a dibasic thiosemicarbazidato ligand was isolated. It was aimed to synthesize the octahedral cobalt complexes by using the co-ligands, pyridine and 2-amino pyridine. An octahedral cobalt(III) complex, [Co(L)(py)(2)]ClO4 (Co2), with two axial-pyridine ligands was obtained. Reaction with 2-amino pyridine gave an unexpected cobalt(III) centered structure, [Co(L-1)]center dot H2O (Co3), where L-1 is a new sixdentate (N4O2) ligand that yielded by the addition of the amino group of pyridine to the L ligand. L-1 has tribasic thiosemicarbazidato structure that altered by the participation of an oxygen atom in addition to the amines. Experimental characterizations of three complexes have been completed using IR, NMR, UV-Vis, ESI-MS techniques and X-ray data. In order to better understand the intermolecular interactions of the structures, the Nonlinear Optical (NLO) properties and frontier orbitals (FMO) of the complexes were obtained using the Gaussian 09 program, DFT/B3LYP with 6-31 G (d, p) bas set for the C, N, O, H atoms and with LanL2DZ basic set for Co metal atom. (C) 2021 Elsevier B.V. All rights reserved.
Anahtar Kelimeler
Cobalt complexes, Thiosemicarbazone, X-ray diffraction, DFT, NLO
Makale Türü Özgün Makale
Makale Alt Türü SSCI, AHCI, SCI, SCI-Exp dergilerinde yayımlanan tam makale
Dergi Adı Journal of Molecular Structure
Dergi ISSN 0022-2860
Dergi Tarandığı Indeksler SCI-Expanded
Makale Dili İngilizce
Basım Tarihi 01-2022
Cilt No 1250
Sayfalar 131783 /
Doi Numarası 10.1016/j.molstruc.2021.131783
Makale Linki http://dx.doi.org/10.1016/j.molstruc.2021.131783