Synthesis and structural characterization by x-ray diffraction and EPR single-crystal techniques of (dichloro)bis(.eta.5-methylcyclopentadienyl)vanadium and (dichloro)bis(.eta.5-methylcyclopentadienyl)titanium. Spatial distribution of the unpaired electron in a V(.eta.5-C5H5)2L2-type complex

1975 ◽  
Vol 97 (22) ◽  
pp. 6422-6433 ◽  
Author(s):  
Jeffrey L. Petersen ◽  
Lawrence F. Dahl
Keyword(s):  
Spatial Distribution ◽  
Single Crystal ◽  
Structural Characterization ◽  
Unpaired Electron ◽  
X Ray Diffraction ◽  
X Ray ◽  
Type Complex

scholarly journals A series of Mn(i) photo-activated carbon monoxide-releasing molecules with benzimidazole coligands: synthesis, structural characterization, CO releasing properties and biological activity evaluation

RSC Advances ◽  
2019 ◽  
Vol 9 (36) ◽  
pp. 20505-20512 ◽  
Author(s):  
Mixia Hu ◽  
YaLi Yan ◽  
Baohua Zhu ◽  
Fei Chang ◽  
Shiyong Yu ◽  
...  
Keyword(s):  
Carbon Monoxide ◽  
Biological Activity ◽  
Activated Carbon ◽  
Fluorescence Spectroscopy ◽  
Single Crystal ◽  
Structural Characterization ◽  
X Ray Diffraction ◽  
X Ray ◽  
H Nmr ◽  
C Nmr

Five Mn(i) photo-activated carbon monoxide-releasing molecules were synthesized by reactions of MnBr(CO)5 with L1–L4, and characterized via single crystal X-ray diffraction, 1H-NMR, 13C-NMR, IR, UV-vis and fluorescence spectroscopy.

A Mn(II) coordination polymer from a polycarboxylate-containing ligand: synthesis, structural characterization, and properties

2017 ◽  
Vol 72 (12) ◽  
pp. 937-940 ◽  
Author(s):  
Xiao-Hong Zhu ◽  
Xiao-Chun Cheng ◽  
Yun-Hua Qian
Keyword(s):  
Magnetic Properties ◽  
Infrared Spectroscopy ◽  
Coordination Polymer ◽  
Single Crystal ◽  
Structural Characterization ◽  
X Ray Diffraction ◽  
Hydrothermal Conditions ◽  
Thermogravimetric Analyses ◽  
X Ray ◽  
3D Framework

AbstractThe neutral, four-fold protonated pyridine-3,5-dicarbox(3,5-dicarboxylatoanilide) (H4L) reacts with Mn(II) salts under hydrothermal conditions to yield a new complex: [Mn2(L)(H2O)2]·H2O (1), which has been characterized by single crystal X-ray diffraction, infrared spectroscopy, and elemental and thermogravimetric analyses. Complex 1 exhibits a binodal (4,8)-connected 3D framework with flu (412.612.84)(46)2 topology. The magnetic properties of 1 were investigated.

scholarly journals Electron localization in a mixed-valence diniobium benzene complex

2015 ◽  
Vol 6 (2) ◽  
pp. 993-1003 ◽  
Author(s):  
Thomas L. Gianetti ◽  
Grégory Nocton ◽  
Stefan G. Minasian ◽  
Nikolas Kaltsoyannis ◽  
A. L. David Kilcoyne ◽  
...  
Keyword(s):  
Single Crystal ◽  
Unpaired Electron ◽  
Mixed Valence ◽  
Metal Center ◽  
Electron Localization ◽  
X Ray Diffraction ◽  
X Ray

One electron oxidation of a neutral diniobium benzene complex leads to a mixed-valence species. Single crystal X-ray diffraction, EPR, L3,2-edge XANES, and DFT indicate that the unpaired electron is localized on one metal center.

A Zn(II) complex with a pyridyl- and carboxylate-containing ligand: synthesis and structural characterization

2020 ◽  
Vol 75 (4) ◽  
pp. 379-382
Author(s):  
Tao Hu ◽  
Xiao-Hong Zhu ◽  
Ding-Yun Jiang ◽  
Xiao-Chun Cheng ◽  
Hai-Wei Kuai
Keyword(s):  
Single Crystal ◽  
Structural Characterization ◽  
Luminescence Property ◽  
Hydrothermal Reaction ◽  
Isophthalic Acid ◽  
Zinc Atom ◽  
X Ray Diffraction ◽  
X Ray ◽  
Nitrate Hydrate ◽  
Ir Spectroscopic

AbstractThe hydrothermal reaction of Zn(II) nitrate hydrate with 5-(pyridin-4-yl)isophthalic acid (H2L) yields the complex [Zn2(L)2(H2O)2] · 2(H2O) (1), which has been characterized by single crystal X-ray diffraction, IR spectroscopic, elemental, and thermogravimetric analyses. Complex 1 exhibits a 3-nodal (3,6)-connected 2D net structure with (4.62)2(42.610.83)(63)4 topology. Its luminescence property was investigated, but the results show that the coordination to the zinc atom has no significant effect on the emission of the ligand.

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.

Synthesis and Structural Characterization of Palladium Dicarbene Complexes Bearing Labile Co-Ligands

2009 ◽  
Vol 62 (9) ◽  
pp. 983 ◽  
Author(s):  
Han Vinh Huynh ◽  
Hui Xian Seow
Keyword(s):  
Single Crystal ◽  
Structural Characterization ◽  
Molecular Structures ◽  
X Ray Diffraction ◽  
Metathesis Reaction ◽  
X Ray ◽  
Low Activity

Dicarbene complexes [Pd(OAc)2(diNHC)] (2), [Pd(O2CCF3)2(diNHC)] (3), and [Pd(CNCH3)2(diNHC)](SO3CF3)2 (4) bearing labile acetato, fluoroacetato, and acetonitrile co-ligands have been synthesized via metathesis reaction of the respective precursor [PdBr2(diNHC)] (1) with Ag-salts. All complexes are stable towards air and moisture and have been fully characterized by spectroscopic and spectrometric methods. Notably and in comparison to diphosphine analogues, they resist ligand disproportionation in solution. Their molecular structures have also been determined by single crystal X-ray diffraction. A preliminary catalytic study showed low activity in the hydroamination reaction, but revealed an interesting co-ligand influence.

Synthesis, structural characterization, and hydrogen bonds of Co9(OH)14[SO4]2

2017 ◽  
Vol 72 (7) ◽  
pp. 505-510
Author(s):  
Hamdi Ben Yahia ◽  
Masahiro Shikano ◽  
Ilias Belharouak
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Single Crystal ◽  
Structural Characterization ◽  
Diffraction Data ◽  
Atmospheric Oxygen ◽  
Molar Ratio ◽  
X Ray Diffraction ◽  
X Ray ◽  
Triclinic System

AbstractThe new compound Co9(OH)14[SO4]2 was synthesized using a hydrothermal method from LiF, Na2SO3, and Co(CH3COO)2·4H2O in a molar ratio of 1:1:1 in the presence of atmospheric oxygen. Its crystal structure was determined from single crystal X-ray diffraction data. Co9(OH)14[SO4]2 crystallizes in the triclinic system, space group P1̅ with a=7.693(2) Å, b=8.318(2) Å, c=8.351(2) Å, α=82.375(5)°, β=77.832(4)°, γ=68.395(4)°, V=484.8(2) Å3, and Z=2. Its structure is composed of cobalt-containing sheets interconnected by SO4 tetrahedra. Bent and symmetrically trifurcated hydrogen bonds have been observed. Furthermore, structural similarities with hydrozincite and brucite minerals have been noticed.

scholarly journals STRUCTURAL CHARACTERIZATION OF 2-AMINO-2-OXOACETIC ACID BY X-RAY POWDER DIFFRACTION AND QUANTUM CHEMISTRY

2019 ◽  
Vol 16 (33) ◽  
pp. 516-523
Author(s):  
G. E. DELGADO ◽  
L. M. BELANDRIA ◽  
M. GUILLEN ◽  
A.. J. MORA ◽  
L. E. SEIJAS
Keyword(s):  
Hydrogen Bonds ◽  
Single Crystal ◽  
Structural Study ◽  
Powder Diffraction ◽  
Structural Characterization ◽  
Structure Determination ◽  
Spectroscopic Techniques ◽  
X Ray Diffraction ◽  
X Ray

2-amino-2-oxoacetic acid, carbamoyl formic acid, or oxamic acid is an active pharmaceutical ingredient (API) of great importance mainly because is an inhibitor of lactic dehydrogenase (LDH). It acts as an inhibitor to the metabolic pathways of the tumor cells and exhibited significant anticancer activity against nasopharyngeal carcinoma (NPC) cells in vitro and can be considered as a potential drug for the treatment of type 2 diabetes. Also, this compound could be used as a building block in the design of supramolecular architectures based on hydrogen bonds through the complimentary hydrogen-bond functionalities of the carbonyl and amide functional groups present. Single-crystal X-ray diffraction is the most powerful technique for crystal structure determination of small molecules. However, for several materials, including oxamic acid, it could be complicated to grow single crystals of suitable size and quality that make them appropriated to structure analysis. For this reason, the structural study was conducted with powder X-ray diffraction which is a process significantly more challenging than structure determination from single-crystal data. Oxamic acid has been characterized by FT-IR and NMR spectroscopic techniques, thermal TGA-DSC analysis, semi-empirical PM7 calculations, and X-ray powder diffraction. The title compound crystallizes in the monoclinic system with space group Cc, Z=4, and unit cell parameters a= 9.4994(4) Å, b= 5.4380(2) Å, c= 6.8636(3) Å, b= 107.149(2)°, V= 338.79(2) Å3. The molecule has a trans conformation. The molecular structure and crystal packing are stabilized mainly by intra- and intermolecular O--H···O and N--H···O hydrogen bonds. The structural characterization of this type of API compound is important to understand its mechanisms of action due to its considerable biological effects. In particular, for oxamic acid, this structural study would allow subsequent examination of its medicinal properties as an antitumor and antidiabetic agent.

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