Structural and spectroscopic studies of transition metal nitrite complexes. X. Crystal structures of cis-Bis(2,2'-bipyridine)(nitrito-O,O')nickel(II) nitrate and hydrated Tris(2,2'-bipyridine)nickel(II) nitrite/nitrate and sulfate. Stereochemistry of the [M(bidentate ligand)2(bidentate ligand')1] system

1981 ◽  
Vol 34 (10) ◽  
pp. 2177 ◽  
Author(s):  
AJ Finney ◽  
MA Hitchman ◽  
DL Kepert ◽  
CL Raston ◽  
GL Rowbottom ◽  
...  
Keyword(s):  
Transition Metal ◽  
Crystal Structures ◽  
Coordination Sphere ◽  
Nickel Atom ◽  
Spectroscopic Studies ◽  
Bidentate Ligand ◽  
The Other ◽  
Bidentate Ligands ◽  
Nitrite Nitrate ◽  
Oxygen Atoms

The crystal structures of the title compounds are reported. In all cases, the coordination sphere of the nickel atom comprises three bidentate ligands. In (1), [Ni(bpy)2(O2N)] NO3, (Ni-N) is 2.M2 � although there are small differences between those nitrogen atoms trans to the nitrite oxygen atoms and the other two. (Ni-O) is 2.12 �. In (2), [Ni(bpy)3] NO2/NO3,xH2O, and (3), [Ni(bpy)3]- SO4,7.5H2O, a redetermination, Ni-N is shown to be c. 2.09 �; serious disorder is present among the non-cationic components of (2), precluding a definite assignment of stoichiometry.

Structural and spectroscopic studies of transition metal nitrite complexes. VIII. Crystal structures and spectra of three pentanuclear species with stoichiometry [Ni5(N-substituted ethane-1,2-diamine)4(OH)2(NO2)8]

1981 ◽  
Vol 34 (10) ◽  
pp. 2139 ◽  
Author(s):  
AJ Finney ◽  
MA Hitchman ◽  
CL Raston ◽  
GL Rowbottom ◽  
AH White
Keyword(s):  
Transition Metal ◽  
Crystal Structures ◽  
General Formula ◽  
Infrared Spectra ◽  
Spectroscopic Studies ◽  
Molecular Structures ◽  
Structural Variations ◽  
Crystal And Molecular Structures

The preparation of a series of novel compounds of general formula [Ni5L4(NO2)8(OH)2] formed by ethane-1,2-diamine or one of five N-substituted ethane-1,2-diamines (L) is described. The crystal and molecular structures of the ethane-1,2-diamine, N,N'-diethylethane-1,2-diamine and N,N-dimethylethane-1,2-diamine complexes are reported. Each compound contains a planar, pentameric arrangement of nickel(II) ions, linked by bridging hydroxide and nitrite ligands. The details of the nitrite bridges differ among the complexes, causing differences in their electronic and infrared spectra. The structural variations are probably caused by the differing steric requirements of the amine substituents.

Structural and spectroscopic studies of transition metal nitrite complexes. V. Crystal structures and spectra of trans-Tetrakis(pyridine)dinitritonickel(II)-pyridine (1/2), trans-Tetrakis(4-methylpyridine)dinitritonickel(II) and trans-Tetrakis(pyrazole)-dinitritonickel(II)

1981 ◽  
Vol 34 (10) ◽  
pp. 2095 ◽  
Author(s):  
AJ Finney ◽  
MA Hitchman ◽  
CL Raston ◽  
GL Rowbottom ◽  
BW Skelton ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Transition Metal ◽  
Crystal Structures ◽  
Electronic Spectra ◽  
Spectroscopic Studies ◽  
Molecular Structures ◽  
Aromatic Rings ◽  
Paddle Wheel ◽  
Crystal And Molecular Structures ◽  
Infrared Frequencies

The crystal and molecular structures of the compounds [Ni(py)4(ONO)2],2py, [Ni(γmpy),(ONO)2] and [Ni(prz)4(ONO)2] are reported.�All three are trans nitrito complexes, the pyridine (py) compound containing two pyridine molecules of solvation. The aromatic rings in the first two complexes adopt 'paddle wheel' conformations with pitch angles varying between 40 and 70�. The nitrite ions are positioned so as to minimize repulsive interactions with the amines, and it seems likely that these groups bond through oxygen rather than nitrogen because this allows a lesser degree of interligand steric interference. The amine rings in [Ni(prz)4(ONO)2] are orthogonal to the plane containing the nickel and coordinated pyrazole nitrogen atoms; the nitrito groups are disordered between two inequivalent positions, each of which involves hydrogen bonding with the pyrazole NH groups. The nitrite infrared frequencies are similar to those observed for other nickel(II) nitrito complexes except that the antisymmetric NO stretching mode of one of the groups in the pyrazole complex is much lower in energy than expected, being in the range normally associated with a nitrogen-bonded or chelated nitrite group. It is suggested that this deviation may be caused by the hydrogen bonding in the complex. The electronic spectra of the compounds yield 10Dq values of 9100 and 8500 cm-1 for the nitrite ligands in [Ni(py)4(ONO)2] and Ni(prz)4(ONO)2], respectively, placing the nitrito group towards the weaker end of the spectro-chemical series.

Syntheses and Crystal Structures of the Bromide-derivatized Lanthanoid(III) Ortho-Oxomolybdates(VI) LnBr[MoO4] (Ln = Pr, Nd, Sm, Gd– Lu)

2013 ◽  
Vol 68 (5-6) ◽  
pp. 616-624 ◽  
Author(s):  
Tanja Schustereit ◽  
Harald Henning ◽  
Thomas Schleid ◽  
Ingo Hartenbach
Keyword(s):  
Crystal Structure ◽  
Crystal Structures ◽  
Coordination Number ◽  
Coordination Sphere ◽  
Space Group ◽  
Structural Arrangement ◽  
Common Structure ◽  
Coordination Spheres ◽  
The Common ◽  
Oxygen Atoms

The lanthanoid(III) bromide ortho-oxomolybdates(VI) LnBr[MoO4] (Ln = Pr, Nd, Sm, Gd - Lu) crystallize triclinically in the space group P1 (a=686 - 689, b=713 - 741, c=1066 - 1121 pm, a =103 - 106, b =107 - 108, g = 92 - 95°) with Z =4. The crystal structure contains two crystallographically distinguishable Ln3+ cations, each one with a coordination number of seven plus one. (Ln1)3+ is surrounded by three bromide and four plus one oxide anions, while for (Ln2)3+ just one bromide and six plus one oxide anions belong to the coordination sphere. Considering the smallest lanthanoids, however, the distances to the farthest anions increase so much that their contribution to the coordination spheres becomes negligible in both cases. The polyhedra around (Ln1)3+ are connected to each other via common edges, which consist of two crystallographically identical Br- anions (Br1). Furthermore, the common structure of the LnBr[MoO4] series contains two crystallographically different, discrete [MoO4]2- ortho-oxomolybdate(VI) tetrahedra. Two plus one oxygen atoms of each [(Mo1)O4]2- unit are used to interconnect the polyhedra around (Ln1)3+ and (Ln2)3+ together with one Br- anion (Br2). The connection between two polyhedra around (Ln2)3+ is generated exclusively by two plus one oxygen atoms of two [(Mo2)O4]2- anions. The complete structural arrangement can be considered as a bundle of primitively packed 1¥{LnBr[MoO4]} chains with two alternating motifs of linkage, which are running parallel along [012].

Disubstituted derivatives of (L—L)Fe2(CO)6 (L—L = fluorocarbon bridged ligand)

1976 ◽  
Vol 54 (20) ◽  
pp. 3185-3191 ◽  
Author(s):  
Lian Sai Chia ◽  
William R. Cullen ◽  
John R. Sams ◽  
James C. Scott
Keyword(s):  
Iron Atom ◽  
Spectroscopic Studies ◽  
The Other ◽  
Bidentate Ligands ◽  
Mössbauer Measurements ◽  
Derivatives Of

The complexes (L—L)Fe2(CO)6 react with a range of bidentate ligands to give the complexes (L—L)′(L—L)Fe2(CO)4 ((L—L) = fluorocarbon-bridged ligand such as f4fars, f4AsP etc. (L—L)′ = fluorocarbon- and hydrocarbon-bridged ligands such as f4AsP diars etc.). Spectroscopic studies, in particular magnetically perturbed Mössbauer measurements, indicate that (L—L)′ in most complexes is chelated to one iron atom, FeA. This leaves one CO group on FeAcis to the FeA—FeB bond and three on FeB. A smaller class of derivatives appear to have (L—L)′ bridging the two iron atoms cis to the FeA—FeB bond. The sign of Vzz is positive at both iron sites in the bridged derivatives. It is negative at FeA and positive at FeB in the other complexes.

155Gd Mössbauer Spectroscopic Study of GdM(CN)6 · 4H2O (M = CrIII, FeIII and CoIII) and KGdM(CN)6 · 3H2O (M = FeII and RuII)

2002 ◽  
Vol 57 (6-7) ◽  
pp. 581-585 ◽  
Author(s):  
Junhu Wang ◽  
Junko Abe ◽  
Takafumi Kitazawa ◽  
Masashi Takahashi ◽  
Masuo Takeda
Keyword(s):  
Transition Metal ◽  
Metal Ions ◽  
Spectroscopic Study ◽  
Crystal Structures ◽  
Transition Metal Ions ◽  
Spectroscopic Studies ◽  
Coupling Constants ◽  
Orthorhombic Distortion ◽  
Ionic Radii ◽  
Quadrupole Coupling

155Gd Mössbauer spectroscopic studies of the title complexes have been performed. Although the 155Gd isomer shifts (d) varied scarcely, the quadrupole coupling constants (e2qQ) changed in the range 4.07-4.81 mm s-1. The e2qQ values of KGdM(CN)6 · 3H2O (M = FeII and RuII) are larger than those of GdM(CN)6 · 4H2O (M = CrIII, FeIII, and CoIII), these values increasing with increasing orthorhombic distortion of the crystal structures. A relationship between the e2qQ values and the ionic radii of the transition metal ions has also been recognized

Structural and spectroscopic studies of transition metal nitrite complexes. II. Crystal structures of cis-Bis(ethane-1,2-diamine)(nitrito-O,O')zinc(II) nitrite and trans-Bis[N,N-dimethyl(ethane-1,2-diamine)]dinitritozinc(II)

1981 ◽  
Vol 34 (10) ◽  
pp. 2061 ◽  
Author(s):  
AJ Finney ◽  
MA Hitchman ◽  
CL Raston ◽  
GL Rowbottom ◽  
AH White
Keyword(s):  
Transition Metal ◽  
Metal Ions ◽  
Crystal Structures ◽  
Coordination Polyhedron ◽  
Metal Ion ◽  
Spectroscopic Studies ◽  
Bond Lengths ◽  
Coordination Sites ◽  
Metal Ligand ◽  
Ligand Bond

The crystal structures of the complexes cis-bis(ethane-1,2-diamine)(nitrito-O,O')zinc(II) nitrite and trans-bis[N,N-dimethyl(ethane-l,2-diamine)]dinitritozinc(II) are described. The former compound contains one chelating nitrite, the second group being present as a counter ion. In this complex the coordination polyhedron about the metal ion may be described either as a distorted trigonal bi-pyramid or an octahedron, depending upon whether the chelated nitrite is considered to occupy one or two coordination sites. The second compound is a trans nitrito complex, having an octahedral ligand geometry, though with three markedly different metal-ligand bond lengths. The structures of the complexes are compared with those of analogous nickel(II) nitrite complexes, and the differences are discussed in terms of the electron configurations of the two metal ions.

scholarly journals Spectroscopic Studies and DFT Calculations of Cimetidine Complexes with Transition Metal Ions

2017 ◽  
Vol 57 (3) ◽  
Author(s):  
Daniela Olea-Román ◽  
Juan Carlos Villeda-García ◽  
Raúl Colorado-Peralta ◽  
Alejandro Solano-Peralta ◽  
Mario Sanchez ◽  
...  
Keyword(s):  
Transition Metal ◽  
Metal Ions ◽  
Coordination Compounds ◽  
Minimum Energy ◽  
Transition Metal Ions ◽  
Spectroscopic Studies ◽  
Bidentate Ligand ◽  
Potential Map ◽  
Coordination Behavior

The coordination behavior of the antiulcer drug cimetidine (cime) towards transition metal ions was investigated. The synthesis and characterization of [Cr(cime)<sub>2</sub>Cl<sub>2</sub>]Cl·3H<sub>2</sub>O, [Co(cime)Cl<sub>2</sub>]·5H<sub>2</sub>O, [Co(cime)<sub>3</sub>Cl]Cl·3H<sub>2</sub>O, [Ni(cime)Cl<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>]·H<sub>2</sub>O, [Cu(cime)Cl<sub>2</sub>]·2H<sub>2</sub>O, [Cu(cime)<sub>2</sub>Cl(H<sub>2</sub>O)]Cl·H<sub>2</sub>O, [Cu(cime)<sub>3</sub>Cl<sub>2</sub>]·3H<sub>2</sub>O, [Cu<sub>2</sub>(cime)Cl<sub>4</sub>], and [Zn(cime)Cl<sub>2</sub>]·1.5H<sub>2</sub>O are discussed, where cime acts as monodentate (imidazole N3) or bidentate ligand (N3 and S8). IR, UV-vis, EPR and NMR spectroscopies, mass spectrometry (FAB+), were employed for the characterization. In order to identify the most reactive areas of cimetidine, the electrostatic potential map of the ligand was calculated; also the structures of minimum energy of the coordination compounds were modeled using DFT (B3LYP/def2-TZVP) calculations.

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