0000000001301989
AUTHOR
Sebastian Dechert
Iron (II) isothiocyanate complexes with substituted pyrazines: Experimental and theoretical views on their electronic structure
Abstract Synthesis, structural, magnetic, Mossbauer and thermal studies of isothiocyanate iron (II) complexes with substituted pyrazines (iodo-, bromo- and amino-derivatives) are discussed here. Complexes with iodo- and bromo-derivatives were found to have the composition [Fe(Ipz)2(SCN)2(H2O)2]·2Ipz (1) and [Fe(Brpz)2(SCN)2(H2O)2]·2Brpz (2), whereas in the case of amino-functionalized pyrazine the formation of [Fe(NH2pz)4(SCN)2] (3) was observed. 3D organization of the molecular complexes is stabilized within different hydrogen, halogen and lone pair–π interactions. Spin state of iron (II) ions in 1–3 was determined as high spin by Mossbauer and magnetic measurements. DFT calculations for t…
Spin Crossover in Fe(II)–M(II) Cyanoheterobimetallic Frameworks (M = Ni, Pd, Pt) with 2-Substituted Pyrazines
Discovery of spin-crossover (SCO) behavior in the family of Fe(II)-based Hofmann clathrates has led to a "new rush" in the field of bistable molecular materials. To date this class of SCO complexes is represented by several dozens of individual compounds, and areas of their potential application steadily increase. Starting from Fe(2+), square planar tetracyanometalates M(II)(CN)4(2-) (M(II) = Ni, Pd, Pt) and 2-substituted pyrazines Xpz (X = Cl, Me, I) as coligands we obtained a series of nine new Hofmann clathrate-like coordination frameworks. X-ray diffraction reveals that in these complexes Fe(II) ion has a pseudo-octahedral coordination environment supported by four μ4-tetracyanometallat…
Di- and Tetrairon(III) μ-Oxido Complexes of an N3S-Donor Ligand: Catalyst Precursors for Alkene Oxidations
The new di- and tetranuclear Fe(III) μ-oxido complexes [Fe 4 (μ-O) 4 (PTEBIA) 4 ](CF 3 SO 3 ) 4 (CH 3 CN) 2 ] (1a), [Fe 2 (μ-O)Cl 2 (PTEBIA) 2 ](CF 3 SO 3 ) 2 (1b), and [Fe 2 (μ-O)(HCOO) 2 (PTEBIA) 2 ](ClO 4 ) 2 (MeOH) (2) were prepared from the sulfur-containing ligand (2-((2,4-dimethylphenyl)thio)-N,N-bis ((1-methyl-benzimidazol-2-yl)methyl)ethanamine (PTEBIA). The tetrairon complex 1a features four μ-oxido bridges, while in dinuclear 1b, the sulfur moiety of the ligand occupies one of the six coordination sites of each Fe(III) ion with a long Fe-S distance of 2.814(6) A. In 2, two Fe(III) centers are bridged by one oxido and two formate units, the latter likely formed by methanol oxidati…
CCDC 1480686: Experimental Crystal Structure Determination
Related Article: Olesia I. Kucheriv, Sergii I. Shylin, Vadim Ksenofontov, Sebastian Dechert, Matti Haukka, Igor O. Fritsky, and Il’ya A. Gural’skiy|2016|Inorg.Chem.|55|4906|doi:10.1021/acs.inorgchem.6b00446
CCDC 1874713: Experimental Crystal Structure Determination
Related Article: Biswanath Das, Afnan Al-Hunaiti, Brenda N. S��nchez-Egu��a, Erica Zeglio, Serhiy Demeshko, Sebastian Dechert, Steffen Braunger, Matti Haukka, Timo Repo, Ivan Castillo, Ebbe Nordlander|2019|Frontiers in Chemistry|7|97|doi:10.3389/fchem.2019.00097
CCDC 1480684: Experimental Crystal Structure Determination
Related Article: Olesia I. Kucheriv, Sergii I. Shylin, Vadim Ksenofontov, Sebastian Dechert, Matti Haukka, Igor O. Fritsky, and Il’ya A. Gural’skiy|2016|Inorg.Chem.|55|4906|doi:10.1021/acs.inorgchem.6b00446
CCDC 1480687: Experimental Crystal Structure Determination
Related Article: Olesia I. Kucheriv, Sergii I. Shylin, Vadim Ksenofontov, Sebastian Dechert, Matti Haukka, Igor O. Fritsky, and Il’ya A. Gural’skiy|2016|Inorg.Chem.|55|4906|doi:10.1021/acs.inorgchem.6b00446
CCDC 1874714: Experimental Crystal Structure Determination
Related Article: Biswanath Das, Afnan Al-Hunaiti, Brenda N. S��nchez-Egu��a, Erica Zeglio, Serhiy Demeshko, Sebastian Dechert, Steffen Braunger, Matti Haukka, Timo Repo, Ivan Castillo, Ebbe Nordlander|2019|Frontiers in Chemistry|7|97|doi:10.3389/fchem.2019.00097
CCDC 1480685: Experimental Crystal Structure Determination
Related Article: Olesia I. Kucheriv, Sergii I. Shylin, Vadim Ksenofontov, Sebastian Dechert, Matti Haukka, Igor O. Fritsky, and Il’ya A. Gural’skiy|2016|Inorg.Chem.|55|4906|doi:10.1021/acs.inorgchem.6b00446
CCDC 1480683: Experimental Crystal Structure Determination
Related Article: Olesia I. Kucheriv, Sergii I. Shylin, Vadim Ksenofontov, Sebastian Dechert, Matti Haukka, Igor O. Fritsky, and Il’ya A. Gural’skiy|2016|Inorg.Chem.|55|4906|doi:10.1021/acs.inorgchem.6b00446
CCDC 1874712: Experimental Crystal Structure Determination
Related Article: Biswanath Das, Afnan Al-Hunaiti, Brenda N. S��nchez-Egu��a, Erica Zeglio, Serhiy Demeshko, Sebastian Dechert, Steffen Braunger, Matti Haukka, Timo Repo, Ivan Castillo, Ebbe Nordlander|2019|Frontiers in Chemistry|7|97|doi:10.3389/fchem.2019.00097
CCDC 1480682: Experimental Crystal Structure Determination
Related Article: Olesia I. Kucheriv, Sergii I. Shylin, Vadim Ksenofontov, Sebastian Dechert, Matti Haukka, Igor O. Fritsky, and Il’ya A. Gural’skiy|2016|Inorg.Chem.|55|4906|doi:10.1021/acs.inorgchem.6b00446