Synthesis, characterization and DFT calculations of dinuclear schiff base Mn(II) complex
Синтеза, карактеризација и DFT прорачуни бинуклеарног комплекса Mn(II) са шифовим базама
Аутори
Adejumo, Temiloluwa T.Radanović, Dušanka
Zlatar, Matija
Gruden, Maja
Anđelković, Katarina
Čobeljić, Božidar
Конференцијски прилог (Објављена верзија)
Метаподаци
Приказ свих података о документуАпстракт
The Mn(II) complex was synthesized by the reaction of N,N,N-trimethyl-2-oxo-2-(2-(1-(thiazol-2-yl)ethylidene)hydrazinyl)ethan-1-aminium chloride, HL1Cl (0.25 mmol), and MnCl2‧4H2O (0.25 mmol) in methanol. After complete dissolution of Mn(II) salt, NaN3 (1 mmol) was added. The mixture was stirred for 2 h at 60 °C. After slow evaporation of solvent in refrigerator for 14 days, pale orange crystals were obtained. The complex was characterized via elemental analysis, IR spectroscopy and X-Ray. Density functional theory (DFT) calculations at ZORA-M06-2X/TZP level of theory revealed weak ferromagnetic interactions between Mn(II) centers.
Кључне речи:
Mn(II) complex / synthesis / crysta / characterization / Density functional theory (DFT)Извор:
27th conference of the Serbian crystallographic society - abstracts, Kragujevac, Serbia / XXVII конференција Српског кристалографског друштва - изводи радова, Крагујевац, 2021, 26-27Издавач:
- Belgrade : Serbian Crystallographic Society
Институција/група
IHTMTY - CONF AU - Adejumo, Temiloluwa T. AU - Radanović, Dušanka AU - Zlatar, Matija AU - Gruden, Maja AU - Anđelković, Katarina AU - Čobeljić, Božidar PY - 2021 UR - https://cer.ihtm.bg.ac.rs/handle/123456789/6730 AB - The Mn(II) complex was synthesized by the reaction of N,N,N-trimethyl-2-oxo-2-(2-(1-(thiazol-2-yl)ethylidene)hydrazinyl)ethan-1-aminium chloride, HL1Cl (0.25 mmol), and MnCl2‧4H2O (0.25 mmol) in methanol. After complete dissolution of Mn(II) salt, NaN3 (1 mmol) was added. The mixture was stirred for 2 h at 60 °C. After slow evaporation of solvent in refrigerator for 14 days, pale orange crystals were obtained. The complex was characterized via elemental analysis, IR spectroscopy and X-Ray. Density functional theory (DFT) calculations at ZORA-M06-2X/TZP level of theory revealed weak ferromagnetic interactions between Mn(II) centers. PB - Belgrade : Serbian Crystallographic Society C3 - 27th conference of the Serbian crystallographic society - abstracts, Kragujevac, Serbia / XXVII конференција Српског кристалографског друштва - изводи радова, Крагујевац T1 - Synthesis, characterization and DFT calculations of dinuclear schiff base Mn(II) complex T1 - Синтеза, карактеризација и DFT прорачуни бинуклеарног комплекса Mn(II) са шифовим базама SP - 26 EP - 27 UR - https://hdl.handle.net/21.15107/rcub_cer_6730 ER -
@conference{ author = "Adejumo, Temiloluwa T. and Radanović, Dušanka and Zlatar, Matija and Gruden, Maja and Anđelković, Katarina and Čobeljić, Božidar", year = "2021", abstract = "The Mn(II) complex was synthesized by the reaction of N,N,N-trimethyl-2-oxo-2-(2-(1-(thiazol-2-yl)ethylidene)hydrazinyl)ethan-1-aminium chloride, HL1Cl (0.25 mmol), and MnCl2‧4H2O (0.25 mmol) in methanol. After complete dissolution of Mn(II) salt, NaN3 (1 mmol) was added. The mixture was stirred for 2 h at 60 °C. After slow evaporation of solvent in refrigerator for 14 days, pale orange crystals were obtained. The complex was characterized via elemental analysis, IR spectroscopy and X-Ray. Density functional theory (DFT) calculations at ZORA-M06-2X/TZP level of theory revealed weak ferromagnetic interactions between Mn(II) centers.", publisher = "Belgrade : Serbian Crystallographic Society", journal = "27th conference of the Serbian crystallographic society - abstracts, Kragujevac, Serbia / XXVII конференција Српског кристалографског друштва - изводи радова, Крагујевац", title = "Synthesis, characterization and DFT calculations of dinuclear schiff base Mn(II) complex, Синтеза, карактеризација и DFT прорачуни бинуклеарног комплекса Mn(II) са шифовим базама", pages = "26-27", url = "https://hdl.handle.net/21.15107/rcub_cer_6730" }
Adejumo, T. T., Radanović, D., Zlatar, M., Gruden, M., Anđelković, K.,& Čobeljić, B.. (2021). Synthesis, characterization and DFT calculations of dinuclear schiff base Mn(II) complex. in 27th conference of the Serbian crystallographic society - abstracts, Kragujevac, Serbia / XXVII конференција Српског кристалографског друштва - изводи радова, Крагујевац Belgrade : Serbian Crystallographic Society., 26-27. https://hdl.handle.net/21.15107/rcub_cer_6730
Adejumo TT, Radanović D, Zlatar M, Gruden M, Anđelković K, Čobeljić B. Synthesis, characterization and DFT calculations of dinuclear schiff base Mn(II) complex. in 27th conference of the Serbian crystallographic society - abstracts, Kragujevac, Serbia / XXVII конференција Српског кристалографског друштва - изводи радова, Крагујевац. 2021;:26-27. https://hdl.handle.net/21.15107/rcub_cer_6730 .
Adejumo, Temiloluwa T., Radanović, Dušanka, Zlatar, Matija, Gruden, Maja, Anđelković, Katarina, Čobeljić, Božidar, "Synthesis, characterization and DFT calculations of dinuclear schiff base Mn(II) complex" in 27th conference of the Serbian crystallographic society - abstracts, Kragujevac, Serbia / XXVII конференција Српског кристалографског друштва - изводи радова, Крагујевац (2021):26-27, https://hdl.handle.net/21.15107/rcub_cer_6730 .