scholarly journals Hypercoordinated Organotin(IV) Compounds Containing ĸ²-C,O- And ĸ²,N- Chelating Ligands: Synthesis, Characterization, and Polymerization Behaviour

2021 ◽  
Author(s):  
Julie Loungxay
Keyword(s):  
Molecular Weight ◽  
Low Molecular Weight ◽  
Condensation Polymerization ◽  
Tetrahedral Geometry ◽  
X Ray ◽  
Distorted Tetrahedral Geometry ◽  
Trigonal Bipyramidal ◽  
Alternative Approach ◽  
Dimethyl Amine ◽  
Distorted Trigonal Bipyramidal

Rigid homopolystannanes and alternating polystannanes containing a benzyl methoxy ether (C,O) or benzyl dimethyl amine (C,N) ligand were prepared using either a direct approach, lithiation and transmetallation, or an alternative approach, either sequential chlorinations or brominations. X-ray crystallographic studies of 41 and 45 were conducted to find 41 in a distorted tetrahedral geometry with moderate hypercoordinate interaction (Sn-N: 2.917 Å) while 45 in a distorted trigonal bipyramidal with strong hypercoordinate interaction (Sn-N: 2.403 Å). Hydrogenation of 31 and 33 produced 42 and 43 in moderate-to-good yields. Dehydrocoupling polymerization produced modest molecular weight, rigid C,O- (Mw = 3.03 × 10⁴ Da, PDI: 1.4) and C,N- (Mw = 3.10 × 10⁴ Da, PDI: 1.82) homopolymers 56 and 57. Finally, condensation polymerization was attempted to produce low molecular weight (Mw = 1.30 × 10⁴ Da, PDI: 2.0) C,O- alternating polymer 60 and oligomer 61 (Mw = 0.92 × 10⁴ Da, PDI: 2.71).

scholarly journals Hypercoordinated Organotin(IV) Compounds Containing ĸ²-C,O- And ĸ²,N- Chelating Ligands: Synthesis, Characterization, and Polymerization Behaviour

2021 ◽  
Author(s):  
Julie Loungxay
Keyword(s):  
Molecular Weight ◽  
Low Molecular Weight ◽  
Condensation Polymerization ◽  
Tetrahedral Geometry ◽  
X Ray ◽  
Distorted Tetrahedral Geometry ◽  
Trigonal Bipyramidal ◽  
Alternative Approach ◽  
Dimethyl Amine ◽  
Distorted Trigonal Bipyramidal

Rigid homopolystannanes and alternating polystannanes containing a benzyl methoxy ether (C,O) or benzyl dimethyl amine (C,N) ligand were prepared using either a direct approach, lithiation and transmetallation, or an alternative approach, either sequential chlorinations or brominations. X-ray crystallographic studies of 41 and 45 were conducted to find 41 in a distorted tetrahedral geometry with moderate hypercoordinate interaction (Sn-N: 2.917 Å) while 45 in a distorted trigonal bipyramidal with strong hypercoordinate interaction (Sn-N: 2.403 Å). Hydrogenation of 31 and 33 produced 42 and 43 in moderate-to-good yields. Dehydrocoupling polymerization produced modest molecular weight, rigid C,O- (Mw = 3.03 × 10⁴ Da, PDI: 1.4) and C,N- (Mw = 3.10 × 10⁴ Da, PDI: 1.82) homopolymers 56 and 57. Finally, condensation polymerization was attempted to produce low molecular weight (Mw = 1.30 × 10⁴ Da, PDI: 2.0) C,O- alternating polymer 60 and oligomer 61 (Mw = 0.92 × 10⁴ Da, PDI: 2.71).

scholarly journals Poly[hydrazin-1-ium [diaquabis(μ4-pyridazine-3,6-dicarboxylato)trilithate] monohydrate]

2012 ◽  
Vol 68 (4) ◽  
pp. m496-m497 ◽  
Author(s):  
Wojciech Starosta ◽  
Janusz Leciejewicz
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Water Molecules ◽  
Extended System ◽  
Tetrahedral Geometry ◽  
Crystal Water ◽  
Distorted Tetrahedral Geometry ◽  
Trigonal Bipyramidal ◽  
Distorted Trigonal Bipyramidal

The structure of the title compound, {(N2H5)[Li3(C6H2N2O4)2(H2O)2]·H2O}n, is composed of molecular dimers, each built up of two symmetry-related LiIions with distorted trigonal–bipyramidal coordinations bridged by two deprotonated ligand moleculesviatheirN,O-bonding sites. Doubly solvated LiIions with a distorted tetrahedral geometry link adjacent dimers, forming a polymer generated by bridging bidentate carboxylato O atoms to LiIions in adjacent dimers, forming anionic layers parallel to theacplane with monoprotonated hydrazinium cations and crystal water molecules positioned between them. The layers are held together by an extended system of hydrogen bonds in which the hydrazinium cations and coordinated and crystal water molecules act as donors and carboxylate O atoms act as acceptors.

Effect of Hydrated Metal Salts on the Coordination Product of Cobalt(II) halide and PNP Type Ligand, 2,6-bis(di-tertbutylphosphinomethyl) pyridine

2018 ◽  
Author(s):  
Tasneem Siddiquee ◽  
Abdul Goni
Keyword(s):  
Metal Salts ◽  
Molar Ratio ◽  
Pincer Complexes ◽  
Asymmetric Unit ◽  
X Ray Diffraction ◽  
Pincer Ligand ◽  
Tetrahedral Geometry ◽  
X Ray ◽  
Distorted Tetrahedral Geometry ◽  
Cobalt Center

Chemical treatment of CoX<sub>2</sub><b><sup>. </sup></b>6H<sub>2</sub>O (X = Cl, Br, I) with the potentially tridentate PNP pincer ligand 2,6-bis(di-<i>tert</i>-butylphosphinomethyl)pyridine in 1:1 molar ratio results in cobalt(II) halide-PNP pincer complexes. The effect of the hydrated metal source on molecular structure and geometry of the complexes was studied by single crystal X-ray diffraction analysis. The complexes are neutral and the cobalt center adopts a penta-coordinate system with potential atropisomerization. Within the unit cell there are two distinct molecules per asymmetric unit. One of the two phosphorus atoms in the PNP ligand was observed to be partially oxidized to phosphinoxide. Disorder in the structure reflects a mixture of square pyramidal and distorted tetrahedral geometry.

Low Molecular Weight Microfibers with Light Sensing Properties

2017 ◽  
Vol 54 (4) ◽  
pp. 655-658
Author(s):  
Andrei Bejan ◽  
Dragos Peptanariu ◽  
Bogdan Chiricuta ◽  
Elena Bicu ◽  
Dalila Belei
Keyword(s):  
Molecular Weight ◽  
Low Molecular Weight ◽  
X Ray Diffraction ◽  
Aromatic Rings ◽  
X Ray ◽  
Force Microscopy ◽  
Light Sensing ◽  
Sensing Applications ◽  
Atomic Force ◽  
Low Molecular Weight Compounds

Microfibers were obtained from organic low molecular weight compounds based on heteroaromatic and aromatic rings connected by aliphatic spacers. The obtaining of microfibers was proved by scanning electron microscopy. The deciphering of the mechanism of microfiber formation has been elucidated by X-ray diffraction, infrared spectroscopy, and atomic force microscopy measurements. By exciting with light of different wavelength, florescence microscopy revealed a specific optical response, recommending these materials for light sensing applications.

Crystal and molecular structure of diorganoammonium oxalatotrimethylstannate, [R2NH2][Me3Sn(C2O4)] (R=i-Bu, cyclohexyl)

2011 ◽  
Vol 34 (5-6) ◽  
pp. 127-130 ◽  
Author(s):  
Yaya Sow ◽  
Libasse Diop ◽  
Kieran C. Molloy ◽  
Gabrielle Kociok-Köhn
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bonds ◽  
Diffraction Study ◽  
Crystal And Molecular Structure ◽  
X Ray Diffraction ◽  
X Ray ◽  
Trigonal Bipyramidal ◽  
Trans Complex ◽  
A Chain ◽  
Distorted Trigonal Bipyramidal

Abstract The title compounds [R2NH2][C2O4SnMe3](R=i-Bu, Cy), in which tin atoms adopt a distorted trigonal bipyramidal configuration, have been prepared and submitted to an X-ray diffraction study. These compounds have been obtained from the reaction of (Cy2NH2)2C2O4·H2O or (i-Bu2NH2)2C2O4 with SnMe3Cl. In both [R2NH2][C2O4SnMe3] compounds, the trans complex has an almost regular trigonal bipyramidal geometry around the tin atom. The SnMe3 residues are connected as a chain with bridging oxalate anions in a trans-SnC3O2 framework, the oxygen atoms being in axial positions. The cations connect linear adjacent chains through NH…O hydrogen bonds giving layered structures.

scholarly journals Crystal structure refinement of magnesium zinc divanadate, MgZnV2O7, from powder X-ray diffraction data

2021 ◽  
Vol 77 (6) ◽  
pp. 588-591
Author(s):  
Stephanie J. Hong ◽  
Jun Li ◽  
Mas A. Subramanian
Keyword(s):  
Crystal Structure ◽  
Diffraction Data ◽  
Structure Refinement ◽  
Atomic Ratio ◽  
Asymmetric Unit ◽  
X Ray Diffraction ◽  
X Ray ◽  
Trigonal Bipyramidal ◽  
Wyckoff Position ◽  
Distorted Trigonal Bipyramidal

The crystal structure of magnesium zinc divanadate, MgZnV2O7, was determined and refined from laboratory X-ray powder diffraction data. The title compound was synthesized by a solid-state reaction at 1023 K in air. The crystal structure is isotypic with Mn0.6Zn1.4V2O7 (C2/m; Z = 6) and is related to the crystal structure of thortveitite. The asymmetric unit contains two metal sites with statistically distributed magnesium and zinc atoms with the atomic ratio close to 1:1. One (Mg/Zn) metal site (M1) is located on Wyckoff position 8j and the other (M2) on 4h. Three V sites (all on 4i), and eight O (three 8j, four 4i, and one 2b) sites complete the asymmetric unit. The structure is an alternate stacking of V2O7 layers and (Mg/Zn) atom layers along [20\overline{1}]. It is distinct from other related structures in that each V2O7 layer consists of two groups: a V2O7 dimer and a V4O14 tetramer. Mixed-occupied M1 and M2 are coordinated by oxygen atoms in distorted trigonal bipyramidal and octahedral sites, respectively.

Organoamido- and Aryloxo-Lanthanoids. XI. Syntheses and Crystal Structures of Nd(Odpp)3, Nd(Odpp)3(thf) and [Nd(Odpp)3(thf)2].2(thf) (Odpp-=2,6-Diphenylphenolate): Variations in Intramolecular π-Ph-Nd Interactions

1995 ◽  
Vol 48 (4) ◽  
pp. 741 ◽  
Author(s):  
GB Deacon ◽  
TC Feng ◽  
BW Skelton ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Crystal Structures ◽  
Phenyl Group ◽  
Triangular Array ◽  
The Other ◽  
X Ray ◽  
Trigonal Bipyramidal ◽  
Distorted Trigonal Bipyramidal

The X-ray crystal structure of Nd (Odpp)3 ( Odpp- = 2,6-diphenylphenolate), obtained by sublimation of Nd ( Odpp )3( thf )2 ( thf = tetrahydrofuran ) [triclinic, Pī , a 15.835(5), b 13.499(10), c 10.955(11) Ǻ, α 116.25(7), β 92.87(7), γ 101.66(6)°, V 2031 Ǻ3, Z2, No 5726 'observed' data (I > 3σ(I)) refined to conventional R 0.047 shows a near triangular array of oxygens surrounding neodymium { Nd -O} 2.169 Ǻ, ∑ O- Nd -O 353.2° with additional, intramolecular Nd-η6-Ph chelate interactions { Nd -C} 3.046 Ǻ and Nd-η1-Ph ( Nd -C 2.964(7)Ǻ). There is a pseudotrigonal bipyramidal arrangement of the oxygens, the centroid of the η6-Ph, and the η1-carbon. The complex Nd ( Odpp )3( thf ), obtained by crystallization of Nd ( Odpp )3( thf )2 from toluene (monoclinic, P21/c, a 12.213(4), b 21.447(4), c 17.744Ǻ, β 104.25(2)°, V 4505 Ǻ3, Z 4, R 0.042 for No 8014) also has pseudotrigonal bipyramidal stereochemistry, with a triangular equatorial array of aryl oxide oxygens { Nd -O} 2.193 Ǻ; ∑ O- Nd -O 358.7°, an apical thf oxygen (Nd -O 2.446(3)Ǻ), and an apical intramolecular chelating phenyl group. As the last has three Nd -C contacts (3.094(5), 3.144(5), 3.010(5)Ǻ) significantly shorter than the other three (3.300(5), 3.427(5), 3.377(5)Ǻ), an η3-Ph-Nd interaction seems likely. For [ Nd ( Odpp )3( thf )2].2( thf ), obtained by crystallization from tetrahydrofuran without drying of the crystals, the X-ray structure (monoclinic, P21, a 10.230(2), b 21.919(5), c 13.411(4) Ǻ, β 101.15(2)°, V 2950 A3, Z2, R 0.058 for No 3237) reveals a distorted trigonal bipyramidal arrangement of three aryl oxide oxygens (two equatorial 2.208(9), 2.16(1) Ǻ; one axial 2.203(9) Ǻ) and two thf oxygens (one equatorial 2.44(1) Ǻ; one axial (significantly distant) 2.62(1) Ǻ). The X-ray structure of [La( Odpp )3( thf )2].2( thf ) shows it to be isostructural with the neodymium analogue.

scholarly journals Tetra-μ3-iodido-tetrakis[(tri-n-butylphosphane-κP)copper(I)]

2014 ◽  
Vol 70 (4) ◽  
pp. m117-m118
Author(s):  
Simon Klenk ◽  
Wolfgang Frey ◽  
Martina Bubrin ◽  
Sabine Laschat
Keyword(s):  
Site Symmetry ◽  
Asymmetric Unit ◽  
Tetrahedral Geometry ◽  
Trigonal Bipyramidal ◽  
The Face ◽  
Symmetry Operators ◽  
Anisotropic Displacement Parameters ◽  
Axial Site ◽  
Geometric Consequence ◽  
Distorted Trigonal Bipyramidal

The title complex, [Cu4I4(C12H27P)4], crystallizes with six molecules in the unit cell and with three independent one-third molecule fragments, completed by application of the relevant symmetry operators, in the asymmetric unit. The tetranuclear copper core shows a tetrahedral geometry (site symmetry 3..). The I atoms also form a tetrahedron, with I...I distances of 4.471 (1) Å. Both tetrahedra show an orientation similar to that of a pair of self-dual platonic bodies. The edges of the I-tetrahedral structure are capped to the face centers of the Cu-tetrahedron andvice versa. The Cuface...I distances are 2.18 Å (averaged) and the Iface...Cu distances are 0.78 Å (averaged). As a geometric consequence of these properties there are eight distorted trigonal–bipyramidal polyhedra evident, wherein each trigonal face builds up the equatorial site and the opposite Cu...I positions form the axial site. As expected, then-butyl moieties are highly flexible, resulting in large elongations of their anisotropic displacement parameters. Some C atoms of then-butyl groups were needed to fix alternative discrete disordered positions.

scholarly journals Copper(II)- and gold(III)-mediated cyclization of a thiourea to a substituted 2-aminobenzothiazole

2017 ◽  
Vol 73 (11) ◽  
pp. 905-910 ◽  
Author(s):  
Zachary W. Schroeder ◽  
L. K. Hiscock ◽  
Louise Nicole Dawe
Keyword(s):  
Gold Complex ◽  
X Ray ◽  
Benzothiazole Derivatives ◽  
Trigonal Bipyramidal ◽  
Ligand Coordination ◽  
Harsh Conditions ◽  
Chloride Monohydrate ◽  
Insight Into ◽  
Distorted Trigonal Bipyramidal

Benzothiazole derivatives are a class of privileged molecules due to their biological activity and pharmaceutical applications. One route to these molecules is via intramolecular cyclization of thioureas to form substituted 2-aminobenzothiazoles, but this often requires harsh conditions or employs expensive metal catalysts. Herein, the copper(II)- and gold(III)-mediated cyclizations of thioureas to substituted 2-aminobenzothiazoles are reported. The single-crystal X-ray structures of the thiourea N-(3-methoxyphenyl)-N′-(pyridin-2-yl)thiourea, C13H13N3OS, and the intermediate metal complexes aquabis[5-methoxy-N-(pyridin-2-yl-κN)-1,3-benzothiazol-2-amine-κN 3]copper(II) dinitrate, [Cu(C13H11N3OS)2(H2O)](NO3)2, and bis{2-[(5-methoxy-1,3-benzothiazol-2-yl)amino]pyridin-1-ium} dichloridogold(I) chloride monohydrate, (C13H12N3OS)2[AuCl2]Cl·H2O, are reported. The copper complex exhibits a distorted trigonal–bipyramidal geometry, with direct metal-to-benzothiazole-ligand coordination, while the gold complex is a salt containing the protonated uncoordinated benzothiazole, and offers evidence that metal reduction (in this case, AuIII to AuI) is required for the cyclization to proceed. As such, this study provides further mechanistic insight into the role of the metal cations in these transformations.

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