Synthesis and characterization of Mn(II) and Fe(III) complexes with the condensation product of thiosemicarbazide and 2-acetylthiazole
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The HL ligand, (E)-2-(1-(thiazol-2-yl)ethylidene)hydrazine-1-carbothioamide, was obtained from the condensation reaction of thiosemicarbazide and 2-acetylthiazole in water. The reaction of the HL ligand with the metal salt MnCl2·4H2O in a molar ratio 1:1 in methanol/water mixture results in the formation of bis Mn(II) complex with composition [MnL2]. Complex 1 crystallizes in the triclinic crystal system with space group P−1. The Mn(II) ion is hexacoordinated with two tridentate ligands L through NNS sets of donor atoms. The geometry around the Mn is described as a distorted trigonal prism (Fig. 1). The reaction of the ligand HL with Fe(BF4)2·6H2O in a molar ratio 1:1 in methanol results in the formation of bis Fe(III) complex with composition [Fe(L)2]BF4·H2O. The Fe(III) ion with L form six-coordinate complex in which two deprotonated ligand molecules coordinate in a mer arrangement, forming a distorted octahedral complex by chelation through NNS sets of donor atoms (Fig. 1).... Complex 2 crystallizes in the orthorhombic crystal system with space group Pbca.
Ključne reči:
Mn(II) / Fe(III) / geometry / condensation product / DFT / X-ray crystallographic analysis / space groupIzvor:
Book of abstracts - COST Training School, COST action CA21101 COSY, "Multiscale modeling of the properties of compounds: From isolated molecules to 3D materials relevant for industrial and astrophysical applications," 19th - 22nd September, 2023, Belgrade, 2023, 51-51Izdavač:
- COST action CA21101 (COSY)
Finansiranje / projekti:
- Ministarstvo nauke, tehnološkog razvoja i inovacija Republike Srbije, institucionalno finansiranje - 200026 (Univerzitet u Beogradu, Institut za hemiju, tehnologiju i metalurgiju - IHTM) (RS-MESTD-inst-2020-200026)
- Ministarstvo nauke, tehnološkog razvoja i inovacija Republike Srbije, institucionalno finansiranje - 200168 (Univerzitet u Beogradu, Hemijski fakultet) (RS-MESTD-inst-2020-200168)
- Ministarstvo nauke, tehnološkog razvoja i inovacija Republike Srbije, institucionalno finansiranje - 200288 (Inovacioni centar Hemijskog fakulteta u Beogradu doo) (RS-MESTD-inst-2020-200288)
- TMMagCat - Tailoring Molecular Magnets and Catalysts Based on Transition Metal Complexes (RS-ScienceFundRS-Ideje-7750288)
Napomena:
Povezane informacije:
- Povezani sadržaj
https://cer.ihtm.bg.ac.rs/handle/123456789/7316
Institucija/grupa
IHTMTY - CONF AU - Savić, Milica AU - Jevtović, Mima AU - Čobeljić, Božidar AU - Anđelković, Katarina AU - Mitić, Dragana PY - 2023 UR - https://cer.ihtm.bg.ac.rs/handle/123456789/7317 AB - The HL ligand, (E)-2-(1-(thiazol-2-yl)ethylidene)hydrazine-1-carbothioamide, was obtained from the condensation reaction of thiosemicarbazide and 2-acetylthiazole in water. The reaction of the HL ligand with the metal salt MnCl2·4H2O in a molar ratio 1:1 in methanol/water mixture results in the formation of bis Mn(II) complex with composition [MnL2]. Complex 1 crystallizes in the triclinic crystal system with space group P−1. The Mn(II) ion is hexacoordinated with two tridentate ligands L through NNS sets of donor atoms. The geometry around the Mn is described as a distorted trigonal prism (Fig. 1). The reaction of the ligand HL with Fe(BF4)2·6H2O in a molar ratio 1:1 in methanol results in the formation of bis Fe(III) complex with composition [Fe(L)2]BF4·H2O. The Fe(III) ion with L form six-coordinate complex in which two deprotonated ligand molecules coordinate in a mer arrangement, forming a distorted octahedral complex by chelation through NNS sets of donor atoms (Fig. 1). Complex 2 crystallizes in the orthorhombic crystal system with space group Pbca. PB - COST action CA21101 (COSY) C3 - Book of abstracts - COST Training School, COST action CA21101 COSY, "Multiscale modeling of the properties of compounds: From isolated molecules to 3D materials relevant for industrial and astrophysical applications," 19th - 22nd September, 2023, Belgrade T1 - Synthesis and characterization of Mn(II) and Fe(III) complexes with the condensation product of thiosemicarbazide and 2-acetylthiazole SP - 51 EP - 51 UR - https://hdl.handle.net/21.15107/rcub_cer_7317 ER -
@conference{ author = "Savić, Milica and Jevtović, Mima and Čobeljić, Božidar and Anđelković, Katarina and Mitić, Dragana", year = "2023", abstract = "The HL ligand, (E)-2-(1-(thiazol-2-yl)ethylidene)hydrazine-1-carbothioamide, was obtained from the condensation reaction of thiosemicarbazide and 2-acetylthiazole in water. The reaction of the HL ligand with the metal salt MnCl2·4H2O in a molar ratio 1:1 in methanol/water mixture results in the formation of bis Mn(II) complex with composition [MnL2]. Complex 1 crystallizes in the triclinic crystal system with space group P−1. The Mn(II) ion is hexacoordinated with two tridentate ligands L through NNS sets of donor atoms. The geometry around the Mn is described as a distorted trigonal prism (Fig. 1). The reaction of the ligand HL with Fe(BF4)2·6H2O in a molar ratio 1:1 in methanol results in the formation of bis Fe(III) complex with composition [Fe(L)2]BF4·H2O. The Fe(III) ion with L form six-coordinate complex in which two deprotonated ligand molecules coordinate in a mer arrangement, forming a distorted octahedral complex by chelation through NNS sets of donor atoms (Fig. 1). Complex 2 crystallizes in the orthorhombic crystal system with space group Pbca.", publisher = "COST action CA21101 (COSY)", journal = "Book of abstracts - COST Training School, COST action CA21101 COSY, "Multiscale modeling of the properties of compounds: From isolated molecules to 3D materials relevant for industrial and astrophysical applications," 19th - 22nd September, 2023, Belgrade", title = "Synthesis and characterization of Mn(II) and Fe(III) complexes with the condensation product of thiosemicarbazide and 2-acetylthiazole", pages = "51-51", url = "https://hdl.handle.net/21.15107/rcub_cer_7317" }
Savić, M., Jevtović, M., Čobeljić, B., Anđelković, K.,& Mitić, D.. (2023). Synthesis and characterization of Mn(II) and Fe(III) complexes with the condensation product of thiosemicarbazide and 2-acetylthiazole. in Book of abstracts - COST Training School, COST action CA21101 COSY, "Multiscale modeling of the properties of compounds: From isolated molecules to 3D materials relevant for industrial and astrophysical applications," 19th - 22nd September, 2023, Belgrade COST action CA21101 (COSY)., 51-51. https://hdl.handle.net/21.15107/rcub_cer_7317
Savić M, Jevtović M, Čobeljić B, Anđelković K, Mitić D. Synthesis and characterization of Mn(II) and Fe(III) complexes with the condensation product of thiosemicarbazide and 2-acetylthiazole. in Book of abstracts - COST Training School, COST action CA21101 COSY, "Multiscale modeling of the properties of compounds: From isolated molecules to 3D materials relevant for industrial and astrophysical applications," 19th - 22nd September, 2023, Belgrade. 2023;:51-51. https://hdl.handle.net/21.15107/rcub_cer_7317 .
Savić, Milica, Jevtović, Mima, Čobeljić, Božidar, Anđelković, Katarina, Mitić, Dragana, "Synthesis and characterization of Mn(II) and Fe(III) complexes with the condensation product of thiosemicarbazide and 2-acetylthiazole" in Book of abstracts - COST Training School, COST action CA21101 COSY, "Multiscale modeling of the properties of compounds: From isolated molecules to 3D materials relevant for industrial and astrophysical applications," 19th - 22nd September, 2023, Belgrade (2023):51-51, https://hdl.handle.net/21.15107/rcub_cer_7317 .