25327-03-1Relevant articles and documents
X-Ray Diffraction Studies on the Structure of the Tri- and Tetrathiocyanatomanganate(II) Complexes and Solvated Lithium Ion in N,N-Dimethylformamide
Radnai, Tamas,Ishiguro, Shin-ichi,Ohtaki, Hitoshi
, p. 1445 - 1452 (1992)
The structure of the tri- and tetrathiocyanato-N-manganate(II) complexes in N,N-dimethylformamide (DMF) solution was determined by the solution X-ray diffraction method at 25 deg C.The most probable structure of the tricomplex is octahedral with additiona
Synthesis, thermal and magnetic properties of new coordination compounds based on Mn(NCS)2 with 2-chloropyrazine and 2-methylpyrazine as neutral co-ligand
Woehlert, Susanne,Runcevski, Tomce,Dinnebier, Robert E.,Naether, Christian
, p. 2648 - 2656 (2013)
Reaction of manganese(II) thiocyanate with 2-chloropyrazine leads always to the formation of a compound of composition Mn(NCS)2(2- chloropyrazine)4 (1-Mn/Cl) that consists of discrete complexes, in which the manganese cation is coordinated by two terminal thiocyanato anions and four 2-chloropyrazine ligands. In contrast, with 2-methylpyrazine only an aqua complex of composition Mn(NCS)2(2-methylpyrazine)2(H 2O)2 (1-Mn/CH3) is obtained that also consists of discrete octahedrally coordinated complexes. Moreover, a few single crystals of Mn(NCS)2(2-chloropyrazine)4·Mn(NCS) 2(2-chloropyrazine)2(H2O)2·2- chloropyrazine trisolvate (2-Mn/Cl) and Mn(NCS)2(2-methylpyrazine) 2(H2O)2·Mn(NCS)2(H 2O)4 (2-Mn/CH3) were accidently obtained but no larger amounts are available. On heating, 1-Mn/Cl and 1-Mn/CH3 transforms into new compounds of composition Mn(NCS)2(L)2 (L = 2-chloropyrazine) (4-Mn/Cl) and 2-methylpyrazine (3-Mn/CH3). Surprisingly on further heating 1-Mn/CH3 looses additional 2-methylpyrazine ligands and transforms into a new compound of composition Mn(NCS)2(2-methylpyrazine) (4-Mn/CH3). Compound 4-Mn/Cl is isotypic to its cobalt(II) analog and 4-Mn/CH3 is isotypic to Cd(NCS)2(2-methylpyrazine) reported recently and therefore, both structures were refined by the Rietveld method. The crystal structures of both compounds are strongly related. They consists of dimeric units, in which each two manganese cations are linked by pairs of μ-1, 3-bridging thiocyanato anions, which are further connected into layers by single μ-1, 3-bridging anionic ligands. In contrast to 4-Mn/Cl, in 4-Mn/CH3 these layers are further linked into a 3D coordination network by the 2-methylpyrazine ligands. Magnetic measurements reveal that 1-Mn/Cl, 1-Mn/CH3, and 3-Mn/CH 3 shows only Curie- or Curie-Weiss paramagnetism, whereas 4-Mn/Cl and 4-Mn/CH3 shows antiferromagnetic ordering at TN = 22.9 K and at 26.5 K. The results of these investigations are compared with those obtained for related compounds. Copyright
Synthesis, X-ray powder diffraction study, thermal analysis, Hirshfeld surface analysis and optical properties of new crystalline polymer: {(C2H10N2)(MnCl(NCS)2)2}n
Chouaib, Hassen,Kamoun, Slaheddine,Karoui, Sahel
, (2021)
Synthesis, structural and optical properties are given for a new organic manganese pseudo halide material. The crystal structure has been solved by ab initio using direct methods from powder data and has been confirmed by additional single-crystal data collected with a CCD area detector. The structure of the {(C2H10N2)(MnCl(NCS)2)2}n reveals that the adjacent Mn(II) centres are bridged by a pair of SCN? anions to form a 1-D array giving rise to the anionic chains (MnCl(NCS)2)nn?. These chains are themselves interconnected by means of N–H???Cl(S) hydrogen bonds originating from the organic cation [(NH3)2(CH2)2]2+. Optical parameters, such as extinction coefficient, refractive index, permittivity refractive, optical conductivity, electrical conductivity and electrical susceptibility were studied using the absorbance spectra UV-vis spectrophotometer in the spectral range 200-800 nm. Atomic Mulliken charges, energies of frontier molecular orbitals (EHOMO and ELUMO), energy band gap (EHOMO–ELUMO), chemical hardness (η), global electrophilicity index(ω) and Electronegativity (χ) were calculated by Density functional theory (DFT) using B3LYP method. The direct optical band gap energy deduced from the UV–VIS spectroscopy is Eg= 3.61 eV.
Synthesis and characterization of New 2D coordination polymers based on Mn(NCS)2 and Ni(NCS)2 with 1,2-Bis(4-pyridyl)-ethane as Co-Ligand
W?hlert, Susanne,Fink, Lothar,Schmidt, Martin U.,N?ther, Christian
, p. 2186 - 2194 (2013)
Reaction of manganese(II) and nickel(II) thiocyanate with 1,2-bis(4-pyridyl)-ethane (bpa) leads to the formation of literature known compounds of composition M(NCS)2(bpa)2 with M = Mn (1- Mn) and Ni (1-Ni). On heating 1-Mn and 1-Ni transform into new compounds of composition M(NCS)2(bpa) with M = Mn (2-Mn) and Ni (2-Ni). These compounds can also be prepared in solution. In both synthetic routes only microcrystalline powders are obtained with crystals too small for single-crystal X-ray diffraction. Therefore, the structures of both compounds were solved and refined from X-ray powder data. In the crystal structure the transition metal cations are coordinated by two bpa co-ligands and four thiocyanato anions within slightly distorted octahedra. The metal cations are linked by μ-1,3-bridging thiocyanato anions into chains, that are further connected into layers by the bpa ligands. Magnetic measurements on 2-Ni shows only Curie- Weiss paramagnetism. In contrast, for 2-Mn an antiferromagnetic ordering is observed but on further cooling the susceptibility curves increase indicating for canted antiferromagnetism. Further measurements prove that the increase at lower temperatures can be traced back to a small contamination with 1-Mn, which is always present independent if this compound is prepared by thermal decomposition or by crystallization from solution. In the course of the crystallization experiments a few single crystals of two additional compounds of composition Mn(NCS)2(bpa)(H2O)2 (3-Mn) and [Mn(NCS) 2]2(bpa)3(CH3OH)2 (4- Mn) were accidently obtained and characterized by single crystal structure analysis. The results of the magnetic measurements are compared with those for related compounds with different neutral N-donor ligands.
Syntheses, crystal structures and antibacterial activities of two new Mn(II) complexes based on triaryltriazoles
Zhang, Shi-Pei,Feng, Zhe,Wu, Bin,Jiang, Jing-Jing,Zhu, Dun-Ru,He, Bingfang
, p. 46 - 56 (2018)
Two new Mn(II) complexes, trans-[Mn(L1-L2)2(NCS)2] (1–2) with triaryltriazole (1, L1?=?3-(p-bromophenyl)-4-phenyl-5-(2-pyridyl)-1,2,4-triazole; 2, L2?=?3,4-bis(p-methylphenyl)-5-(2-pyridyl)-1,2,4-triazole), have been synthesized and structurally characterized by elemental analysis, FT-IR, ESI-MS, and single-crystal X-ray crystallography. Crystallographic studies revealed that both 1 and 2 contain a distorted octahedral [MnN6] core with two trans-disposed NCS? ions. The L1 ligand, 1 and 2, together with four known homologous Mn(II) complexes, trans-[Mn(L3-L6)2(NCS)2] (3–6) (3, L3?=?3-(p-methoxyphenyl)-4-(p-chlorophenyl)-5-(2-pyridyl)-1,2,4-triazole; 4, L4?=?3-(p-methoxyphenyl)-4-(p-bromophenyl)-5-(2-pyridyl)-1,2,4-triazole; 5, L5?=?3-(p-chlorophenyl)-4-(p-methylphenyl)-5-(2-pyridyl)-1,2,4-triazole; 6, L6?=?3,5-bis(2-pyridyl)-4-(p-methylphenyl)-1,2,4-triazole), were tested in vitro for their antibacterial activities against two Gram-positive bacterial strains and two Gram-negative bacterial strains by the MTT method. The results indicate that 1 exhibited better activity than Penicillin and Kanamycin against Pseudomonas aeruginosa and also better than its free L1 ligand.
Synthesis, structures, and properties of Mn(II) and Cd(II) thiocyanato coordination compounds with 2,5-dimethylpyrazine as co-ligand
Suckert, Stefan,W?hlert, Susanne,N?ther, Christian
, p. 381 - 390 (2016)
Reaction of manganese (II) thiocyanate with 2,5-dimethylpyrazine leads to the formation of three new coordination compounds of compositions Mn(NCS)2 (2,5 dimethylpyrazine)2 (H2 O)2 (1), Mn(NCS)2 (H2 O)2 (MeOH)2 -tris(2,5-dimethylpyrazine) solvate (2), and Mn(NCS)2(H2 O)4 -tetrakis(2,5-dimethylpyrazine) solvate (3) that were characterized by single crystal X-ray diffraction. In their crystal structures, the Mn(II) cations are sixfold coordinated by two terminally N-bonded thiocyanato anions and two water molecules as well as by two 2,5-dimethylpyrazine ligands (1), two ethanol (2), or two water molecules (3), within slightly distorted octahedra. In compounds 2 and 3, additional 2,5-dimethylpyrazine ligands are located in the cavities of the structures as solvate molecules. X-ray powder diffraction has shown that compounds 1 and 2 cannot be prepared as pure phases and that batches of compound 3 contain only minor traces of a contamination. Differential thermoanalysis and thermogravimetry have revealed that upon heating of compound 3, an intermediate of composition Mn(NCS)2 (2,5-dimethylpyrazine) (4) is formed, which cannot be obtained from solution. To mimic the structure of 4, single crystals of a Cd compound of the same composition (5) were prepared from the liquid phase, and single crystal X-ray analysis has shown that it is isotypic to 4.
Investigations on the influence of the metal center coordination on the magnetic properties of Mn thiocyanato coordination polymers
Suckert, Stefan,W?hlert, Susanne,N?ther, Christian
, p. 96 - 102 (2015)
Reaction of manganese(II) thiocyanate with the monodentate ligand 4-benzylpyridine (bp) leads to the formation of two compounds of composition Mn(NCS)2(4-benzylpyridine)4 (1-bp) and Mn(NCS)2(4-benzylpyridine)2 (2-bp). Compound 1-bp forms discrete complexes in which the Mn cations are coordinated by four 4-benzylpyridine ligands and two terminal N-bonding thiocyanato anions within slightly distorted octahedra. In compound 2-bp the metal cations are surrounded by two cis-coordinating 4-benzylpyridine ligands, two cis-coordinating S-bonded thiocyanato anions and two trans-coordinating N-bonded anionic ligands. The Mn cations are linked into zig-zag-like chains by pairs of μ-1,3-bridging anionic ligands. DTA-TG measurements on 1-bp prove that 2-bp is obtained as intermediate. Magnetic measurements on the chain compound 2-bp show dominating antiferromagnetic interactions between the Mn centers. On cooling a maximum is observed in the susceptibility curve indicative for an antiferromagnetic transition. The results of the magnetic measurements are compared with those obtained for other Mn thiocyanato chain compounds in which the thiocyanato anions are trans-coordinated.
The Versatility of the Dihydrogenobis(1-pyrazolyl)borate Ligand, H2B(pz)2-: Novel Anionic Complexes with Chromium(II), Chromium(III), and Manganese(II). X-ray Structure of 2>
Vaira, Massimo Di,Mani, Fabrizio
, p. 191 - 194 (1990)
New five-co-ordinate chromium(II) and manganese(II) complexes with the ligand dihydrogenobis(1-pyrazolyl)borate, H2B(pz)2, have been prepared and characterized.The complexes have the general formula A2> (M=CrII or MnII); A=NEt4, PPh4, or AsPh
Formation of di- and polynuclear Mn(II) thiocyanate pyrazole complexes in solution and in the solid state
Jochim, Aleksej,N?ther, Christian
, p. 793 - 801 (2018)
Reaction of Mn(NCS)2 with pyrazole leads to the formation of three compounds with the compositions Mn(NCS)2(pyrazole)4 (1), [Mn(NCS)2]2(pyrazole)6 (2) and Mn(NCS)2(pyrazole)
Synthesis, Crystal Structures, and Properties of Mn(NCS)2 Coordination Compounds with 4-Picoline as Coligand and Crystal Structure of Mn(NCS)2
Neumann, Tristan,Gallo, Gianpiero,Dinnebier, Robert E.,N?ther, Christian
, p. 88 - 94 (2020)
Reaction of Mn(NCS)2 with 4-picoline (4-methylpyridine) leads to the formation of [Mn(NCS)2(4-picoline)4]·0.67·4-picoline·0.33·H2O (1-Mn) reported in literature, Mn(NCS)2(4-picoline)2(H2O)2 (2-Mn/H2O), and of [Mn(NCS)2(4-picoline)2]n (2-Mn/I). 1-Mn and 2-Mn/H2O consist of discrete complexes, in which the metal cations are octahedrally coordinated, whereas in 2-Mn/I the metal cations are linked by pairs of μ-1,3-bridging thiocyanate anions into corrugated chains. Measurements using thermogravimetry and differential scanning calorimetry as well as temperature dependent X-ray powder diffraction on 1-Mn and 2-Mn/H2O reveal that upon heating both compounds transform into [Mn(NCS)2(4-picoline)]n (3-Mn) via 2-Mn/I as intermediate. 3-Mn shows a very rare chain topology in which the metal cations are linked by μ-1,3,3 (N,S,S) coordinating anionic ligands which was never observed before with MnII. From these investigations there is no hint that a further modification of 2-Mn can be prepared as recently observed for [M(NCS)2(4-picoline)2]n (M = Fe, Cd) and such a form is also not available if the metastable forms of the FeII or CdII compounds were used as template during thermal decomposition. Magnetic investigations on 2-Mn/H2O show only paramagnetic behavior, whereas for 2-Mn/I antiferromagnetic ordering is observed. Finally, the crystal structure of Mn(NCS)2 was determined from XRPD data, which shows that it is strongly related to that of 3-Mn.
