Trichloridothallium(III) Complexes with Bipyridine Derivatives: From Structure to Luminescence Properties.

2013 ◽  
Vol 66 (6) ◽  
pp. 676 ◽  
Author(s):  
Zahra Ghiasi ◽  
Vahid Amani ◽  
Peiman Mirzaei ◽  
Nasser Safari ◽  
Anita Abedi
Keyword(s):  
Emission Spectra ◽  
Dmso Molecule ◽  
Spin Coupling ◽  
Coupling Constant ◽  
X Ray Diffraction ◽  
X Ray ◽  
Octahedral Environment ◽  
Distorted Octahedral ◽  
The Stability ◽  
Spin Spin Coupling

Several new thallium(iii) complexes, [Tl(4,4′-dmbpy)Cl3(DMSO)]·H2O (1), [Tl(4,4′-dtbpy)Cl3(DMSO)] (2), [Tl(5,5′-dmbpy)Cl3(DMSO)]·(5,5′-dmbpy) (3), and [Tl(6-mbpy)Cl3(DMSO)] (4) (4,4′-dmbpy = 4,4′-dimethyl-2,2′-bipyridine, 4,4′-dtbpy = 4,4′-ditert-butyl-2,2′-bipyridine, 5,5′-dmbpy = 5,5′-dimethyl-2,2′-bipyridine, and 6-mbpy = 6-methyl-2,2′-bipyridine) were prepared from the reaction of TlCl3 with the mentioned ligands in DMSO. The four complexes were fully characterised and their structures were determined by X-ray diffraction. These complexes have a bidendate nitrogenous ligand, a DMSO molecule, and three chloride anions (in the facial position) attached to a TlIII metal centre in a distorted octahedral environment. The stability of the complexes in DMSO is evident by a 203,205Tl–1H spin–spin coupling, determined by 1H NMR spectroscopy. Interestingly, six bond hydrogen–thallium coupling was observed with a coupling constant of 6JTlH = 20 Hz. The absorption and emission spectra of the complexes were investigated. These studies revealed that upon coordination to TlIII, the luminescent intensity is increased in comparison with the related unbound ligands.

X-ray diffraction, Raman spectroscopic, and solid-state NMR studies of the group 14 metal-(tetracarbonyl)cobalt complexes Ph3MCo(CO)4 (M = Si, Sn, Pb)

2002 ◽  
Vol 80 (7) ◽  
pp. 813-820 ◽  
Author(s):  
J M Geller ◽  
J H Wosnick ◽  
I S Butler ◽  
D FR Gilson ◽  
F G Morin ◽  
...  
Keyword(s):  
Solid State ◽  
Spin Coupling ◽  
Chemical Shift Tensor ◽  
Coupling Constant ◽  
X Ray Diffraction ◽  
Group 14 ◽  
X Ray ◽  
Fermi Contact ◽  
Spin Spin Coupling ◽  
Cp Mas Nmr

Single-crystal X-ray diffraction studies illustrate that the three title compounds are isomorphous, belonging to the triclinic space group P[Formula: see text], with slightly distorted trigonal bipyramidal geometry about cobalt. The solid-state 29Si, 119Sn, and 207Pb cross-polarization magic angle spinning (CP MAS) NMR spectra are presented. The indirect spin–spin coupling constant (J), quadrupolar–dipolar shift (d), direct dipolar coupling constant (D' ), anisotropy in spin–spin coupling (ΔJ), and the chemical shift tensor were extracted. A plot of the reduced coupling constant vs. s-electron densities at the nucleus indicates that the Fermi contact term may be dominant for the tin and lead complexes; however, the large ΔJ for all complexes indicate that there are also significant anisotropic terms. Trends in the Raman scattering spectra are also discussed.Key words: 29Si, 119Sn, and 207Pb CP MAS NMR, tetracarbonyl cobalt, spin–spin coupling, chemical shift tensor, quadrupole coupling, Fermi contact, cobalt–group 14.

Synthesis, IR and X-Ray Studies of Tetra(N,N′-tetraethyl-N″-benzoyl- phosphorictriamide)-tetra(μ-3-methoxo)-tetra(methanol)tetra-NickeI(II)

1998 ◽  
Vol 53 (8) ◽  
pp. 836-840 ◽  
Author(s):  
Vladimir A. Ovchynnikov ◽  
Vladimir M. Amirkhanov ◽  
Anatoliy A. Kapshuk ◽  
Tatyana Yu. Sliva ◽  
Tadeusz Glowiak ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Oxygen Atom ◽  
Metal Ion ◽  
Crystal And Molecular Structure ◽  
X Ray Diffraction ◽  
X Ray ◽  
Octahedral Environment ◽  
Distorted Octahedral ◽  
Methoxy Groups ◽  
Oxygen Atoms

Abstract A new nickel(II) complex with N,N′-tetraethyl-N″-benzoylphosphortriamide (HL = C6H5C(O)N(H)P(O)(NEt2)2) of composition Ni4L4(OCH3)4·(HOCH3)4 (1) has been synthe­ sized. The crystal and molecular structure of 1 has been determined from the X-Ray diffraction data (tetragonal, space group P4̄21c with a = 17.000(2) Å, c = 15.338(3) Å, Z = 2; R = 0.0399 for 1412 unique reflections). The structure is made up of cubane-like tetramers. In the corners of a cube there are 4 atoms of nickel and 4 atoms of oxygen of methoxy groups. The nickel atoms are characterized by a slightly distorted octahedral environment, which consists of three oxygen atoms of methoxy groups, carbonylic and phosphorylic oxygen atoms of the ligand L-, and an oxygen atom of a methanol molecule. The ligands L- coordinate to the metal ion forming a chelate via the oxygen atoms of carbonylic and phosphorylic groups.

A mixed-ligand dihydrobis(2-mercapto-4-methylthiazolyl)borate) bismuth complex: [Bi(btMe)(phen)Cl2]

2015 ◽  
Vol 70 (3) ◽  
pp. 203-206 ◽  
Author(s):  
Muhammad Imran ◽  
Beate Neumann ◽  
Norbert W. Mitzel
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Mixed Ligand ◽  
Resonance Spectroscopy ◽  
X Ray Diffraction ◽  
X Ray ◽  
Octahedral Environment ◽  
Distorted Octahedral ◽  
Bismuth Complex ◽  
Phenanthroline Ligand

Abstract[Bi(btMe)(phen)Cl2] (btMe = dihydrobis(2-mercapto-4-methylthiazolyl)borate), a mixed-ligand bismuth complex, was prepared from BiCl3, phenanthroline and Na(btMe) and characterized by nuclear magnetic resonance spectroscopy as well as single-crystal X-ray diffraction. It possesses a BiS2N2Cl2 core with distorted octahedral environment constituted by two sulfur atoms of the dipodal boron-centered soft ligand (btMe)–, two nitrogen atoms of the phenanthroline ligand and two chloro ligands.

scholarly journals Synthesis and structural analysis of cis-bis(1,10-phenanthroline)dicarbonyl ruthenium(II) 1.72-trifluoromethanesulfonate 0.28-hexafluoridophosphate

2021 ◽  
Vol 12 (4) ◽  
pp. 389-393
Author(s):  
Tsugiko Takase ◽  
Dai Oyama
Keyword(s):  
Molecular Structure ◽  
Asymmetric Unit ◽  
X Ray Diffraction ◽  
Carbonyl Carbon ◽  
X Ray ◽  
Carbonyl Ligands ◽  
Octahedral Environment ◽  
Ruthenium Atom ◽  
Distorted Octahedral ◽  
First Time

Ruthenium(II) complexes containing both 1,10-phenanthroline (Phen) and carbonyl (CO) ligands are important molecules for various applications including catalysis. In this work, the molecular structure of [Ru(Phen)2(CO)2]2+ was determined via X-ray diffraction analysis for the first time. The complex exhibits substitutional disorder of one of counter-anions in the asymmetric unit, with different occupancies for CF3SO3- (0.72) and PF6- (0.28). The ruthenium atom is coordinated in a distorted octahedral environment by two carbonyl carbon atoms and four nitrogen atoms from bis-Phen ligands. The cation displays a cis configuration of the carbonyl ligands. Several hydrogen bonds and π-π interactions are present in the crystal. In addition to structural characterization, IR spectral data for the complex is compared with calculated values. These results provide fundamental data for understanding various properties of related ruthenium complexes.

Synthesis and structural characterization of two copper(II) complexes with 3-(4-(1H-benzo[d]imidazol-1-yl)-4-methoxyphenyl)-1-phenylprop- 2-en-1-one ligands

2015 ◽  
Vol 70 (3) ◽  
pp. 165-169 ◽  
Author(s):  
Gao-Feng Wang
Keyword(s):  
Infrared Spectroscopy ◽  
Single Crystal ◽  
Structural Characterization ◽  
X Ray Diffraction ◽  
Distorted Octahedral Environment ◽  
X Ray ◽  
Octahedral Environment ◽  
Distorted Octahedral ◽  
Elemental Analyses

AbstractThe synthesis of two new copper(II) complexes with benzimidazole type ligands, Cu(tta)2(L1)2 (1) and Cu(tta)2(L1) (2) (where L1 is 3-(4-(1H-benzo[d]imidazol-1-yl)-4-methoxy phenyl)-1-phenylprop-2-en-1-one; tta is 2-thenoyltrifluoroacetonate), are reported. Their structures have been characterized by infrared spectroscopy, elemental analyses and single-crystal X-ray diffraction. The copper(II) ion of 1 is in a distorted octahedral environment, while that of 2 is in a distorted square-pyramidal environment. In both cases, the donor atoms are provided by oxygen atoms of the tta ligands and nitrogen atoms of the L1 ligands.

scholarly journals Structural and Spectroscopic Properties of Two New Isostructural Complexes of Lapacholate with Cobalt and Copper

2012 ◽  
Vol 2012 ◽  
pp. 1-6 ◽  
Author(s):  
R. A. Farfán ◽  
J. A. Espíndola ◽  
M. I. Gomez ◽  
M. C. L. de Jiménez ◽  
M. A. Martínez ◽  
...  
Keyword(s):  
Electronic Absorption Spectra ◽  
Spectroscopic Properties ◽  
Molecular Structures ◽  
X Ray Diffraction ◽  
Triclinic Space Group ◽  
X Ray ◽  
Octahedral Environment ◽  
Distorted Octahedral ◽  
Phenol Oxygen ◽  
Oxygen Atoms

The molecular structures of two isostructural complexes of lapacholate (Lap) anion and dimethylformamide (DMF), M(Lap)2(DMF)2 with M: Co Cu, were determined by X-ray diffraction methods. The substances crystallize in the triclinic space group P1¯ with one molecule per unit cell and cell constants a=7.7591(3), b=10.3560(3), c=11.2224(4) Å, α=95.110(2), β=94.310(2), and γ=107.704(2)° for the Co complex and a=7.9308(2), b=10.0033(4), c=10.7508(4), α=97.387(2), β=93.621(2), and γ=103.980(2)° for the Cu complex. The structures were solved from 2933 (Co) and 2888 (Cu) reflections with I>2σ (I) and refined by full matrix least squares to agreement R1-factors of 0.041 (Co) and 0.033 (Cu). The metal M(II) ion is sited on a crystallographic inversion center in a MO6 distorted octahedral environment. This ion is coordinated equatorially to two lapacholate anions through their adjacent carbonyl and phenol oxygen atoms [M–O bond distances of 2.134(1) and 2.008(1) Å (Co) and 2.301(1) and 1.914(1) Å (Cu)] and axially to two DMF molecules through oxygen atoms [M–O bond lengths of 2.143(1) Å (Co) and 2.069(1) Å (Cu)]. The solid state IR transmittance and solution electronic absorption spectra of both Co and Cu compounds are also reported and compared to each other and to the corresponding spectra of other members of the lapacholate metal family of complexes.

Structure and Stability of a Linear Trinuclear Cobalt(II) Complex: Co3(PhCH=CHCO2)6(bpy)2

2008 ◽  
Vol 63 (2) ◽  
pp. 129-133 ◽  
Author(s):  
Xian-Wen Wang ◽  
Ying Chen ◽  
Jing-Zhong Chen ◽  
Jian-Hong Liu ◽  
Lei Han
Keyword(s):  
X Ray Diffraction ◽  
Linear Arrangement ◽  
Triclinic Space Group ◽  
X Ray ◽  
Cell Parameters ◽  
Hydrogen Bonding Interactions ◽  
Octahedral Environment ◽  
Carboxylate Groups ◽  
Distorted Octahedral Coordination Geometry ◽  
Distorted Octahedral

A trinuclear cobalt(II) complex, [Co3(PhCH=CHCO2)6(bpy)2] (1) (bpy = 2,2-bipyridine), was synthesized and structurally characterized by single crystal X-ray diffraction. Complex 1 crystallizes in the triclinic space group P1 with cell parameters: a = 11.347(6), b = 11.471(6), c = 14.247(8) Å , α = 69.503(9), β = 74.211(9), γ = 76.812(11)°, V = 1653.2(15) Å3, Z = 1, and R1(F) = 0.026, wR2(F2) = 0.138. Complex 1 has a linear arrangement of three Co(II) centers bridged by six cinnamate carboxylate groups, four of which function in a bidentate syn-syn fashion linking the peripheral Co2 atoms, and two as both bidentate bridging and bidentate chelating units. The Co1 atom is located on a crystallographic inversion center and exhibits a slightly distorted octahedral coordination geometry, while the terminal Co atoms (Co2 and Co2#1) have a significantly distorted octahedral environment. Hydrogen bonding interactions and π-π stacking interactions stabilize the structure

Darstellung, Kristallstruktur und Infrarotspektrum von [MoNCl3 · POCl3]4/Preparation, Crystal Structure and Infrared Spectrum of [MoNCl3 · POCl3]4

1978 ◽  
Vol 33 (11) ◽  
pp. 1347-1351 ◽  
Author(s):  
Joachim Strähle ◽  
Ulrich Weiher ◽  
Kurt Dehnicke
Keyword(s):  
Crystal Structure ◽  
Oxygen Atom ◽  
Infrared Spectrum ◽  
Ir Spectrum ◽  
Triple Bond ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
X Ray ◽  
Octahedral Environment ◽  
Distorted Octahedral

Abstract [MoNCl3 · POCl3]4 is prepared both by the reaction of MoNCl3 with POCl3 as well as by the reaction of MoCl5 with NCl3 in the presence of POCl3. [MoNCl3 · POCl3]4 crystallizes in the monoclinic space group P21/c with 2 tetrameric molecules in the unit cell. The crystal structure was solved by X-ray diffraction methods (R = 0.033, 1821 observed reflections). The structure consists of planar and almost square Mo4N4-eight-membered rings with alternating Mo-N bond lengths. The distorted octahedral environment of the molybdenum atoms is completed by three terminal Cl-ligands and by the oxygen atom of a POCl3 molecule, which is coordinated trans to the Mo ≡ N triple bond. The IR spectrum is discussed with respect to the vibrational spectra of the isoelectronic niobium complex [NbOCl3 · POCl3]4.

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