Complexes of Transition Metal(II) Thiocyanates with 1,2,4-Triazole

1977 ◽  
Vol 32 (5) ◽  
pp. 533-536 ◽  
Author(s):  
J. G. Haasnoot ◽  
W. L. Groeneveld
Keyword(s):  
Transition Metal ◽  
Infrared Spectrum ◽  
General Formula ◽  
Infrared Spectra ◽  
The Other ◽  
Trinuclear Complex ◽  
Cu Complex ◽  
Cu And Zn

The preparation of complexes containing 1,2,4-triazole (trz) is described. The general formula is M(trz)2(CNS)2 with M = Mn, Fe, Co, Ni, Cu and Zn. For M = Ni two isomeric compounds have been isolated. The infrared spectra of the Ni compounds are assigned on the basis of the assignment for the free 1,2,4-triazole. One of the Ni compounds is a trinuclear complex according to its infrared spectrum. The other complexes are isomorphous, with exception perhaps of the Cu complex. For these compounds a polynuclear structure is proposed.

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.

Near Infrared Spectra of Water in Aqueous Solutions of Organic Salts. A Solvation Study of Bu4NBr, , and

1971 ◽  
Vol 49 (12) ◽  
pp. 2008-2013 ◽  
Author(s):  
C. Jolicoeur ◽  
Nguyen Dinh The ◽  
A. Cabana
Keyword(s):  
Infrared Spectrum ◽  
Aqueous Solutions ◽  
Infrared Spectra ◽  
Near Infrared ◽  
The Other ◽  
Simple Analysis ◽  
Organic Salts ◽  
Solvent Interactions ◽  
Near Infrared Spectra ◽  
Qualitative Similarity

The near-infrared spectrum of water at various temperatures and in aqueous solutions of Bu4NBr, [Formula: see text], and [Formula: see text] is studied in the region 0.8–1.2 µ. The spectra are recorded differentially with respect to water by varying the cell lengths as to take into account density changes or the volume occupied by the solutes. A simple analysis of these spectra illustrates the qualitative similarity between the effects of the Bu4N+ ion and that of a temperature decrement on the spectrum of water. On the other hand striking differences are observed in the differential spectra obtained with Bu4NBr and the phenyl substituted: salts. Further differences are exhibited in the relative solute-solvent interactions of [Formula: see text] and [Formula: see text].

Preparation, Infrared Spectra, Electronic Spectra, and Magnetic Moments of Copper(II) Complexes of N-Acetylglycine and Their Amine Adducts

1974 ◽  
Vol 52 (21) ◽  
pp. 3607-3611 ◽  
Author(s):  
G. Marcotrigiano ◽  
G. C. Pellacani
Keyword(s):  
Infrared Spectrum ◽  
Infrared Spectra ◽  
Elemental Analysis ◽  
Magnetic Moment ◽  
Electronic Spectra ◽  
Magnetic Moments ◽  
The Other ◽  
Square Planar ◽  
Amine Adducts ◽  
Planar Pattern

Compounds of the type [CuA2•H2O]2 and [CuA2•4H2O]2 have been prepared, where A is N-acetylglycine (aceturic acid). Amine adducts of the type CuA2B (B = piperazine, 2,2′-bipyridine, and 1,10-phenantroline) and CuA2B2 (B = N-methylpiperazine, piperidine, morpholine, pyridine, and ethylenediamine) were obtained by reaction of the amines with CuA2•4H2O. Each complex was characterized by elemental analysis, infrared spectrum, electronic spectrum, and magnetic moment. For the piperazine and ethylenediamine adducts a square-planar pattern of coordination about copper(II) ion is probable, while for the other amine adducts a square-pyramidal structure is proposed. For all the complexes the coordination of the N-acetylglycine occurs only through the terminal carboxyl oxygen in a monodentate arrangement.

The first-row transition-metal series of tris(ethylenediamine) diacetate complexes [M(en)3](OAc)2 (M is Mn, Fe, Co, Ni, Cu, and Zn)

2017 ◽  
Vol 73 (6) ◽  
pp. 442-446 ◽  
Author(s):  
Duyen N. K. Pham ◽  
Mrittika Roy ◽  
James A. Golen ◽  
David R. Manke
Keyword(s):  
Transition Metal ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
The Other ◽  
Asymmetric Unit ◽  
Teller Distortion ◽  
Dimensional Network ◽  
Jahn Teller ◽  
Jahn Teller Distortion ◽  
Cu And Zn

The crystal structures of the first-row transition-metal series of tris(ethylenediamine-κ2 N,N′)metal(II) diacetate, [M(C2H8N2)3](CH3CO2)2, with M = Mn, Fe, Co, Ni, Cu, and Zn, are reported. The complexes are all isostructural, crystallizing in a centrosymmetric triclinic cell and possessing an asymmetric unit composed of one [M(en)3]2+ cation and two symmetrically independent acetate anions. In the unit cell, the two complex cations are inversion-generated enantiomers, possessing the energetically favoured Δ(λλλ) and Λ(δδδ) configurations. The complex cations and acetate anions combine through a series of N—H...O hydrogen bonds to generate a three-dimensional network in the crystals. The other notable feature of the series is a significant Jahn–Teller distortion for the d 9 Cu2+ complex.

The crystal structures, solid solutions and infrared spectra of copiapite-group minerals

2007 ◽  
Vol 71 (5) ◽  
pp. 553-569 ◽  
Author(s):  
J. Majzlan ◽  
R. Michallik
Keyword(s):  
Solid Solution ◽  
General Formula ◽  
Solid Solutions ◽  
Infrared Spectra ◽  
Structural Type ◽  
The Other ◽  
Solid Solution Series ◽  
Complex Behaviour ◽  
Acidic Environments ◽  
Large Groups

AbstractCopiapite is a mineral of iron- and sulphate-rich acidic environments and has a general formula AFe3+4 (SO4)6(OH)2(H2O)20, where A = Fe2+, 2/3Fe3+, 2/3Al3+, Mg, Zn. The structure is built by infinite tetrahedral-octahedral chains and isolated octahedrally coordinated A sites. Our synthetic and natural copiapite samples can be divided into two large groups based on the orientation of the structural fragments. One group comprises copiapite phases where A = Al3+, Fe2+ or Fe3+ and we designate it as the structural type AL. The other group consists of copiapite with A = Mg2+, Zn2+ or Ni2+ and this is the structural type MG. The solid-solution series between Fe3+ and Al3+ copiapite is continuous. The series between Mg2+-Al3+, Mg2+-Fe3+ and Mg2+-Al3+-Fe3+ copiapite are not continuous; the samples with intermediate compositions contain two copiapite phases, one of the type AL and one of the type MG. The series between Mg2+ and Zn2+ copiapite is continuous only at 25°C. At 75°C, the Zn-rich portion of this systemcrystallizes a copiapite-like phase whose structure may be a superstructure of copiapite. The series between Al-Fe2+ and Mg-Fe2+ copiapite are not continuous and show complex behaviour of the intermediate compositions.

Structures, electronic and magnetic properties of transition metals-doped Mg9O9 tubular clusters

2020 ◽  
Vol 34 (21) ◽  
pp. 2050211
Author(s):  
Zhi Li ◽  
Tao-Tao Shao ◽  
Zhen Zhao
Keyword(s):  
Magnetic Properties ◽  
Transition Metal ◽  
Ground State ◽  
The Other ◽  
Bridge Site ◽  
Kinetic Activity ◽  
Edge Site ◽  
Structurally Stable ◽  
Maximum Spin ◽  
Cu And Zn

The structures, electronic and magnetic attributes of the transition metal (TM) doping Mg9O9 tubular clusters have been investigated using the PBE functional. The results display that the ScMg9O9 and NiMg9O9 clusters are more structurally stable than the other TMMg9O9 clusters. An Sc atom replaces the Mg atom at the edge site of the Mg9O9 clusters, which leads to the Mg atom transferring to the top of an adjacent O atom. Ni atom prefers to occupy the bridge site of the Mg–O bond at a side of the Mg9O9 clusters. VMg9O9 and FeMg9O9 display more kinetic activity than the other TMMg9O9 clusters. The TM atoms lost certain electrons except for Co, Cu and Zn. The maximum spin value of the TM atoms for the ground-state TMMg9O9 clusters occurs at Mn.

X-ray Structure Refinement and Vibrational Spectroscopy of Ca8Gd2 (PO4)6 O2

2013 ◽  
Vol 12 (10) ◽  
pp. 719-726
Author(s):  
R. Ayadi ◽  
Mohamed Boujelbene ◽  
T. Mhiri
Keyword(s):  
Solid State ◽  
General Formula ◽  
Vibrational Spectroscopy ◽  
Powder Diffraction ◽  
Infrared Spectra ◽  
Solid State Reaction ◽  
Structure Refinement ◽  
Unit Cell ◽  
Cell Group ◽  
X Ray

The present paper is interested in the study of compounds from the apatite family with the general formula Ca10 (PO4)6A2. It particularly brings to light the exploitation of the distinctive stereochemistries of two Ca positions in apatite. In fact, Gd-Bearing oxyapatiteCa8 Gd2 (PO4)6O2 has been synthesized by solid state reaction and characterized by X-ray powder diffraction. The site occupancies of substituents is0.3333 in Gd and 0.3333 for Ca in the Ca(1) position and 0. 5 for Gd in the Ca (2) position.  Besides, the observed frequencies in the Raman and infrared spectra were explained and discussed on the basis of unit-cell group analyses.

scholarly journals Exploration of Free Energy Surface and Thermal Effects on Relative Population and Infrared Spectrum of the Be6B11− Fluxional Cluster

Materials ◽  
2020 ◽  
Vol 14 (1) ◽  
pp. 112
Author(s):  
Carlos Emiliano Buelna-Garcia ◽  
José Luis Cabellos ◽  
Jesus Manuel Quiroz-Castillo ◽  
Gerardo Martinez-Guajardo ◽  
Cesar Castillo-Quevedo ◽  
...  
Keyword(s):  
Free Energy ◽  
Infrared Spectrum ◽  
Infrared Spectra ◽  
Thermal Effects ◽  
Global Minimum ◽  
Energy Surface ◽  
Weighted Sums ◽  
Free Energy Surface ◽  
Temperature Dependent ◽  
Relative Population

The starting point to understanding cluster properties is the putative global minimum and all the nearby local energy minima; however, locating them is computationally expensive and difficult. The relative populations and spectroscopic properties that are a function of temperature can be approximately computed by employing statistical thermodynamics. Here, we investigate entropy-driven isomers distribution on Be6B11− clusters and the effect of temperature on their infrared spectroscopy and relative populations. We identify the vibration modes possessed by the cluster that significantly contribute to the zero-point energy. A couple of steps are considered for computing the temperature-dependent relative population: First, using a genetic algorithm coupled to density functional theory, we performed an extensive and systematic exploration of the potential/free energy surface of Be6B11− clusters to locate the putative global minimum and elucidate the low-energy structures. Second, the relative populations’ temperature effects are determined by considering the thermodynamic properties and Boltzmann factors. The temperature-dependent relative populations show that the entropies and temperature are essential for determining the global minimum. We compute the temperature-dependent total infrared spectra employing the Boltzmann factor weighted sums of each isomer’s infrared spectrum and find that at finite temperature, the total infrared spectrum is composed of an admixture of infrared spectra that corresponds to the spectra of the lowest-energy structure and its isomers located at higher energies. The methodology and results describe the thermal effects in the relative population and the infrared spectra.

Transition metal acetates

1968 ◽  
Vol 46 (22) ◽  
pp. 3443-3446 ◽  
Author(s):  
D. A. Edwards ◽  
R. N. Hayward
Keyword(s):  
Solid State ◽  
Thermogravimetric Analysis ◽  
Transition Metal ◽  
Infrared Spectra ◽  
Magnetic Moments ◽  
Acetate Group ◽  
Visible Spectra

Some anhydrous transition metal acetates (Mn(II), Co(II), Cu(II), Ni(II), Zn(II), Ag(I), Mo(II), Ce(III), La(III)) have been prepared and their infrared spectra measured in the solid state. The infrared spectra have been related to established modes of bonding of the acetate group to metals. Thermal decompositions of the anhydrous acetates have been investigated by thermogravimetric analysis; magnetic moments and visible spectra have been measured.

CO-ORDINATION COMPLEXES OF TITANIUM (IV) HALIDES: II. PREPARATION AND INFRARED SPECTRA OF THE COMPLEXES OF TITANIUM TETRACHLORIDE WITH DIESTERS OF α,ω-DICARBOXYLIC ACIDS AND COMPARISON WITH ANALOGOUS COMPLEXES OF ZIRCONIUM TETRACHLORIDE AND TIN TETRACHLORIDE

1961 ◽  
Vol 39 (11) ◽  
pp. 2343-2352 ◽  
Author(s):  
Ernest Rivet ◽  
Real Aubin ◽  
Roland Rivest
Keyword(s):  
Molecular Weight ◽  
Infrared Spectra ◽  
Titanium Tetrachloride ◽  
Complex Molecule ◽  
Dicarboxylic Acids ◽  
The Other ◽  
Zirconium Tetrachloride ◽  
Melting Points ◽  
Zirconium Complexes ◽  
Tin Tetrachloride

Co-ordination complexes between diesters of α,ω-dicarboxylic acids and titanium tetrachloride, tin tetrachloride, and zirconium tetrachloride have been prepared. The analytical results, the infrared spectra, the melting points, and the molecular-weight determinations indicate that for the titanium and zirconium complexes, two types of complexes are obtained, one having a general formula MX4•1 diester in which chelate rings from five to nine atoms are formed and the other one, 2MX4•1 diester in which there are two 4-membered rings per complex molecule. With tin tetrachloride only one type of complex is formed, which has two tin tetrachlorides and two diesters per complex molecule.

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