A new heteroleptic cuprous complex with strong yellow photoluminescence

In the title heteroleptic cuprous complex, (acetonitrile-κN)({2-[2-(diphenylphosphanyl)phenoxy]phenyl}diphenylphosphane-κ2P,P′)[2-(pyridin-4-yl-κN)-1,3-benzoxazole]copper(I) hexafluoridophosphate, [Cu(C36H28OP2)(CH3CN)(C12H8N2O)]PF6, conventionally abbreviated [Cu(POP)(CH3CN)(4-PBO)]PF6, where POP is the diphosphane ligand {2-[2-(diphenylphosphanyl)phenoxy]phenyl}diphenylphosphane and 4-PBO is the N-containing ligand 2-(pyridin-4-yl)-1,3-benzoxazole, the asymmetric unit consists of a hexafluoridophosphate anion and a whole mononuclear cation, where the CuIcentre is coordinated by two P atoms from the POP ligand, by one N atom from the 4-PBO ligand and by the N atom of the coordinated acetonitrile molecule, giving rise to a CuP2N2distorted tetrahedral coordination geometry. The electronic absorption, photoluminescence and thermal stability properties of this complex have been studied on as-synthesized samples, which had previously been examined by powder X-ray diffraction. A yellow emission signal is attributed to an excited state arising from metal-to-ligand charge transfer (MLCT).

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Synthesis and Characterisation of Zinc(II) Complex With 2-Amino-5-bromopyridine Ligand

10.31227/osf.io/8z9gm ◽

2017 ◽

Author(s):

Fitriani

Keyword(s):

Ir Spectroscopy ◽

Elemental Analysis ◽

Coordination Geometry ◽

Tetrahedral Coordination ◽

Visible Absorption ◽

X Ray ◽

X Ray Crystallography ◽

Uv Visible ◽

Cl Atoms ◽

Distorted Tetrahedral Coordination

The synthesis and characterisation of zinc(II) complex with 2-amino-5-bromopyridine (C5H5BrN2) ligand have been described. The complex was structurally characterised via X-ray crystallography, in the title compound, (2-amino-5-bromopyridinium) [ZnCl¬3(2-amino-5-bromopyridine)] or which is also called (C5H6BrN2) [ZnCl3(C5H5BrN2)]¬. The Zn(II) atom is four-coordinated by three Cl atoms and one imine N-atom of 2-amino-5-bromopyridine ligand, forming a distorted tetrahedral coordination geometry. The complex was also investigated by elemental analysis, 1H NMR, IR spectroscopy and UV-Visible absorption. The protonation behaviour upon coordination is discussed.

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Synthesis, characterization, and X-ray structural analysis of the Cu(I) derivative, [Me2Ga(OCH2CH2NMe2)N2C5H7]Cu• PPh3

Canadian Journal of Chemistry ◽

10.1139/v81-072 ◽

1981 ◽

Vol 59 (3) ◽

pp. 518-523 ◽

Cited By ~ 5

Author(s):

Kenneth S. Chong ◽

Steven J. Rettig ◽

Alan Storr ◽

James Trotter

Keyword(s):

Structural Analysis ◽

Copper Atom ◽

Direct Methods ◽

Carbonyl Complex ◽

Coordination Geometry ◽

Tetrahedral Coordination ◽

Full Matrix ◽

X Ray ◽

Complex Crystals ◽

Distorted Tetrahedral Coordination

The Cu(I) complex [Me2Ga(OCH2CH2NMe2)N2C5H7]Cu•PPh3 has been synthesized and its fluxional behavior in solution probed. Attempts have been made to isolate the analogous Cu(I) carbonyl complex. Crystals of [dimethyl(3,5-dimethyl-1-pyrazolyl)(N,N-dimethylethanolamino)gallato (N(2),O,N(3))](triphenylphosphine)copper(I) are monoclinic, a = 18.871(2), b = 9.464(1), c = 18.374(2) Ā, β = 109.62(1)°, Z = 4, space group P21/c. The structure was solved by direct methods and was refined by full-matrix least-squares procedures to R = 0.028 and Rw = 0.035 for 2729 reflections with I ≥ 3σ(I). The copper atom is bonded to the phosphine and to the tridentate Me2Ga(OCH2CH2NMe2)N2C5H7− ligand resulting in a distorted tetrahedral coordination geometry. The Cu—P distance of 2.156(1) Å is unusually short. Other important bond distances (corrected for libration) are: Cu—O, 2.163(2), Cu—N(pyrazolyl), 2.025(3), Cu—N(amino), 2.144(3), Ga—O, 1.896(3), Ga—N, 2.005(3), and Ga—C, 1.972(5) and 1.987(5) Å.

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The Crystal-Structure of Bis[Aquabis(4-amino-3,5,6-trichloropyridine-2-carboxylato)silver(I)] Dihydrate

Australian Journal of Chemistry ◽

10.1071/ch9892047 ◽

1989 ◽

Vol 42 (11) ◽

pp. 2047 ◽

Cited By ~ 5

Author(s):

NJ Calos ◽

CHL Kennard ◽

TCW Mak ◽

G Smith

Keyword(s):

Crystal Structure ◽

Water Molecule ◽

Tetrahedral Coordination ◽

X Ray Diffraction ◽

Pyridyl Nitrogen ◽

Centrosymmetric Dimer ◽

X Ray ◽

Cell Dimensions ◽

Distorted Tetrahedral Coordination ◽

Silver Atoms

The crystal structure of the silver(I) complex of the herbicide Picloram, silver(1) 4-amino- 3,5,6-trichloropyridine-2-carboxylate dihydrate, has been determined by X-ray diffraction at 293 K, and refined to a residual R 0.037 for 2583 observed reflections. The triclnic crystal has the cell dimensions a 7.1197(8), b 8.924(2), c 9.493(1) �, α 95.84(1), β 105.71(1), γ 108.68(1)�, with space group P1, and contains one dimer per unit cell. Silver has a distorted tetrahedral coordination and is bound to the pyridyl nitrogen [Ag-N, 2.313(3) �], an oxygen of the carboxy group [Ag-O, 2.362(2) �], and one water molecule [Ag-O, 2.195(3) �]. The carboxyl oxygen atoms bridge two silver atoms [Ag-O′, 2.810(2) �] forming a centrosymmetric dimer . The other water molecule is present as a molecule of solvation , hydrogen-bonded to the amino group of the picloramate ligand [O-N, 2.881(4) �].

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A new phosphorescent heteroleptic cuprous complex with a neutral 2-methylquinolin-8-ol ligand: synthesis, structure characterization, properties and TD–DFT calculations

Acta Crystallographica Section C Structural Chemistry ◽

10.1107/s2053229617007549 ◽

2017 ◽

Vol 73 (6) ◽

pp. 486-491 ◽

Cited By ~ 5

Author(s):

Rong-Er Shou ◽

Li Song ◽

Wen-Xiang Chai ◽

Lai-Shun Qin ◽

Tian-Gen Wang

Keyword(s):

Charge Transfer ◽

Density Functional ◽

Low Cost ◽

Structure Characterization ◽

Yellow Emission ◽

X Ray Diffraction ◽

Functional Theory ◽

Ligand Charge Transfer ◽

Td Dft ◽

Cuprous Complex

Luminescent CuI complexes have emerged as promising substitutes for phosphorescent emitters based on Ir, Pt and Os due to their abundance and low cost. The title heteroleptic cuprous complex, [9,9-dimethyl-4,5-bis(diphenylphosphanyl)-9H-xanthene-κ2 P,P](2-methylquinolin-8-ol-κ2 N,O)copper(I) hexafluorophosphate, [Cu(C10H9NO)(C39H32OP2)]PF6, conventionally abbreviated as [Cu(Xantphos)(8-HOXQ)]PF6, where Xantphos is the chelating diphosphine ligand 9,9-dimethyl-4,5-bis(diphenylphosphanyl)-9H-xanthene and 8-HOXQ is the N,O-chelating ligand 2-methylquinolin-8-ol that remains protonated at the hydroxy O atom, is described. In this complex, the asymmetric unit consists of a hexafluorophosphate anion and a whole mononuclear cation, where the CuI atom is coordinated by two P atoms from the Xantphos ligand and by the N and O atoms from the 8-HOXQ ligand, giving rise to a tetrahedral CuP2NO coordination geometry. The electronic absorption and photoluminescence properties of this complex have been studied on as-synthesized samples, whose purity had been determined by powder X-ray diffraction. In the detailed TD–DFT (time-dependent density functional theory) studies, the yellow emission appears to be derived from the inter-ligand charge transfer and metal-to-ligand charge transfer (M+L′)→LCT excited state (LCT is ligand charge transfer).

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Crystal structure of a zwitterionic azaallyl zirconiumamide complex bearing a Zr+-μ-CH3—B− moiety and one equivalent of n-hexane as a solvent

IUCrData ◽

10.1107/s2414314618006442 ◽

2018 ◽

Vol 3 (5) ◽

Cited By ~ 1

Author(s):

Nils Frerichs ◽

Christian Adler ◽

Marc Schmidtmann ◽

Rüdiger Beckhaus

Keyword(s):

Crystal Structure ◽

Single Crystal ◽

Lewis Acid ◽

Tetrahedral Coordination ◽

X Ray Diffraction ◽

Coordination Environment ◽

X Ray ◽

Strong Lewis Acid ◽

Distorted Tetrahedral Coordination

The zirconiumamide complex [(cyclohex-1-enyl)cyclohexylamido]bis(dicyclohexylamido)[methyltris(pentafluorophenyl)borato]zirconium(IV) hexane monosolvate, [Zr{N(C6H11)2}2{N(C6H11)(C6H9)}{BCH3(C6F5)3}]·C6H14, is zwitterionic and bears a Zr+—μ-CH3—B− moiety. The reaction of tris(dicyclohexylamido)methylzirconium with the strong Lewis acid tris(pentafluorophenyl)borane results in the formation of an azaallyl zirconium motif by the loss of H2 in one dicyclohexylamido ligand, as shown by single-crystal X-ray diffraction. The ZrIV cation is coordinated to the N atoms of two dicyclohexylamido ligands, the π-system of one azaallyl ligand, and to the μ-CH3—B unit, resulting in a distorted tetrahedral coordination environment. The Zr—N distance to the azaallyl ligand is elongated, whereas the Zr—C distance to this moiety is found to be shortened in comparison with those to the two Cy2N groups (Cy is C6H11).

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Thiophenophane–metal complexes. I. Preparation, X-ray structure, and cyclic voltammetry of 2,5,8-trithia[9](2,5)thiophenophane, L, and of its metalcomplexcation bis(2,5,8-trithia[9](2,5)thiophenophane-S2,S3]copper(I),[CuL2]+1

Canadian Journal of Chemistry ◽

10.1139/v88-243 ◽

1988 ◽

Vol 66 (6) ◽

pp. 1506-1512 ◽

Cited By ~ 20

Author(s):

C. Robert Lucas ◽

Liu Shuang ◽

Michael J. Newlands ◽

Jean-Pierre Charland ◽

Eric J. Gabe

Keyword(s):

Cyclic Voltammetry ◽

Reference Electrode ◽

Molecular Structures ◽

Saturated Calomel Reference Electrode ◽

Coordination Geometry ◽

Tetrahedral Coordination ◽

Space Group ◽

X Ray ◽

H Nmr ◽

Distorted Tetrahedral Coordination

Preparation of the thiophenophane C10H14S4, (L), and syntheses of its copper(I) complex [CuL2]ClO4 or [CuL2]BF4 are described. The 13C and 1H nmr spectra of L and the ir spectra (4000–200 cm−1) of [CuL2]ClO4 and [CuL2]BF4 are reported. The molecular structures of L and [CuL2]ClO4 have been determined. For L: space group P21/a, a = 7.9347(2) Å, b = 18.7479(3) Å, c = 8.8596(2) Å, β = 108.446(2)°, Z = 4, Rf = 0.048, and Rw = 0.034. For [CuL2]ClO4: space group P21/c, a = 9.4363(1) Å, b = 18.2768(3) Å, c = 16.2157(3) Å, β = 96.520(2)°, Z = 4, Rf = 0.056, and Rw = 0.037. The Cu(I) complex has distorted tetrahedral coordination geometry; its perchlorate anion is non-coordinating and disordered. The Cu—S bond lengths lie in the range 2.301–2.392 Å and the S—Cu—S angles in the range 92.43—150.26°. Cyclic voltammetry of [CuL2]ClO4 (10−3 mol/L in dimethylsulfoxide, 0.1 mol/L Et4NClO4, glassy carbon working electrode, platinum counter electrode, aqueous saturated calomel reference electrode against which the ferrocenium/ferrocene potential under similar conditions was 400 mV) shows a quasi-reversible oxidation (E1/2 = 0.150 V, ΔEp = 170 mV at 50 mV/s). Thiophene's effect as a sub-unit in a small macrocycle upon properties of the latter is discussed.

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A three-dimensional ZnIIcoordination framework: poly[[μ2-(E)-1,2-bis(pyridin-4-yl)ethene][μ4-(E)-2,2′-(diazene-1,2-diyl)dibenzoato][μ2-(E)-2,2′-(diazene-1,2-diyl)dibenzoato]dizinc(II)]

Acta Crystallographica Section C Structural Chemistry ◽

10.1107/s2053229614001077 ◽

2014 ◽

Vol 70 (3) ◽

pp. 277-280 ◽

Cited By ~ 2

Author(s):

Cai-Xia Yu ◽

Feng Zhao ◽

Min Zhou ◽

Dan-Feng Zhi ◽

Lei-Lei Liu

Keyword(s):

Solid State ◽

Coordination Polymer ◽

Three Dimensional ◽

Coordination Geometry ◽

Two Dimensional ◽

Tetrahedral Coordination ◽

Asymmetric Unit ◽

X Ray Diffraction ◽

X Ray ◽

Carboxylate Groups

In the title coordination polymer, [Zn2(C14H8N2O4)2(C12H10N2)]n, the asymmetric unit contains one ZnIIcation, two halves of 2,2′-(diazene-1,2-diyl)dibenzoate anions (denotedL2−) and half of a 1,2-bis(pyridin-4-yl)ethene ligand (denoted bpe). The three ligands lie across crystallographic inversion centres. Each ZnIIcentre is four-coordinated by three O atoms of bridging carboxylate groups from threeL2−ligands and by one N atom from a bpe ligand, forming a tetrahedral coordination geometry. Two ZnIIatoms are bridged by two carboxylate groups ofL2−ligands, generating a [Zn2(CO2)2] ring. Each loop serves as a fourfold node, which links its four equivalent nodesviathe sharing of fourL2−ligands to form a two-dimensional [Zn2L4]nnet. These nets are separated by bpe ligands acting as spacers, producing a three-dimensional framework with a 4664topology. Powder X-ray diffraction and solid-state photoluminescence were also measured.

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Neutrale und kationische Eisen-Schwefel-Komplexe und -Cluster Synthese und Kristallstrukturen von [Fe(SR)2L2] · PhMe und [Fe4S4(SR)2L2] sowie zur Bildung von [Fe(SR)L3]+, [FeL4]2+, [Fe4S4(SR)L3]+ und [Fe4S4L4]2+ (R = 2,4,6-i-Pr3C6H2; L = SC(NMe2)2) / Neutral and Cationic Iron-Sulfur Complexes and Clusters Syntheses and Crystal Structures of [Fe(SR),L2] · PhMe and [Fe4S4(SR)2L2], and on the Formation of [Fe(SR)L3]+, [FeL4]2+, [Fe4S4(SR)L3]+ and [Fe4S4L4]2+ (R = 2,4,6-i-Pr3C6H2; L = SC(NMe2)2)

Zeitschrift für Naturforschung B ◽

10.1515/znb-1991-1208 ◽

1991 ◽

Vol 46 (12) ◽

pp. 1629-1634 ◽

Cited By ~ 9

Author(s):

Ulrich Bierbach ◽

Wolfgang Saak ◽

Detlev Haase ◽

Siegfried Pohl

Keyword(s):

Elemental Sulfur ◽

Mixed Ligand ◽

Monoclinic Space Group ◽

Tetrahedral Coordination ◽

X Ray Diffraction ◽

Iron Sulfur Cluster ◽

X Ray ◽

Thiolate Ligands ◽

Iron Sulfur ◽

Distorted Tetrahedral Coordination

The reaction of [FeI2L2] (1; L = SC(NMe2)2) with KSR (R = 2,4,6-i-Pr3C6H,) yields [Fe(SR)2L2] · PhMe (2).Oxidation of the thiolate ligands of 2 with ((Me2N)2CSSC(NMe2)2)2+ affords the cationic complexes [Fe(SR)L3]+ and [FeL4]2+, which were isolated as tetraphenylborate salts.A mixed ligand neutral iron sulfur cluster [Fe4S4(SR)2L2] (3) has been synthesized by the reaction of 2 with elemental sulfur. 3 is a precursor for cationic clusters which are obtained via the above-mentioned oxidation. The structures of 2 and 3 were determined from single crystal X-ray diffraction data.2 crystallizes in the monoclinic space group C2/c with a = 1807.8(1), b = 1000.6(1), c = 2946.0(2) pm, β = 101.16(1), V = 5227.6 × 106 pm3, Ζ = 4, R = 0.067. The complex exhibits C2-symmetry and a distorted tetrahedral coordination of Fe(II) (S–Fe–S angles between 101.7 and 125.7). The Fe–Sthiourea and Fe–Sthiolate bond lengths were found to be 240.3(2) and 231.5(1) pm, respectively.3: triclinic, P1, a= 1020.2(2), b = 1035.3(2), c = 1402.1(2) pm, α = 73.50(1), β = 70.47(1), γ=84.38(1),V= 1338.2 × 106pm3,Z= 1, R = 0.039.3 shows a slightly compressed Fe4S4 core structure. The Fe– Fe distances range from 269.1 to 278.1 pm. The shortest and longest distances are observed between those Fe atoms which have two thiourea and two thiolate ligands, respectively.

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Anion Effect on the Structural Diversity of 1-D and 2-D Zinc(II) Coordination Polymers with a Flexible Fluorinated Bis(imidazole) Ligand

Zeitschrift für Naturforschung B ◽

10.5560/znb.2014-4123 ◽

2014 ◽

Vol 69 (8) ◽

pp. 878-884 ◽

Cited By ~ 2

Author(s):

Feng Tian ◽

Hong-Dan Wang ◽

Ming-Yang He ◽

Qun Chen ◽

Sheng-Chun Chen

Keyword(s):

Coordination Polymers ◽

Structural Diversity ◽

Coordination Geometry ◽

Tetrahedral Coordination ◽

X Ray Diffraction ◽

X Ray ◽

Anion Effect ◽

Structural Differences ◽

The Difference ◽

Cationic Network

Reactions of a flexible fluorinated ligand, 2,3,5,6-tetrafluoro-1,4-bis(imidazol-1-ylmethyl) benzene (Fbix), with ZnX2 (X =OAc- or NO3-) lead to the formation of the two new ZnII coordination polymers [Zn(Fbix)(OAc)2]n (1) and {[Zn2(Fbix)3(NO3)2](NO3)2(H2O)3}n (2), which have been characterized by elemental analysis, IR spectroscopy, and single-crystal X-ray diffraction. Although the ZnII centers of both 1 and 2 are in a similar tetrahedral coordination geometry, each ZnII ion in 1 is surrounded by two Fbix spacers and two terminal OAc- anions to form a highly undulated chain, whereas each ZnII ion in 2 is embraced by three Fbix ligands and one NO3- anion to result in a two-dimensional cationic network. Since 1 and 2 are synthesized under the same conditions, the structural differences between them are attributable to the difference of the counterions. The solid-state properties such as thermal stability and luminescence of 1 and 2 have also been studied briefly.

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Neue mono-und spirobicyclische Aminosilane: Synthese, Struktur und Eigenschaften / New Mono-and Spirobicyclic Aminosilanes: Synthesis, Structure and Properties

Zeitschrift für Naturforschung B ◽

10.1515/znb-1994-0914 ◽

1994 ◽

Vol 49 (9) ◽

pp. 1247-1255 ◽

Cited By ~ 12

Author(s):

Th. Schlosser ◽

A. Sladek ◽

W. Hiller ◽

H. Schmidbaur

Keyword(s):

Mass Spectrometry ◽

Ring System ◽

Molecular Structures ◽

Structure And Properties ◽

Tetrahedral Coordination ◽

X Ray Diffraction ◽

X Ray ◽

Crystal And Molecular Structures ◽

Ring Puckering ◽

Distorted Tetrahedral Coordination

The reactions of the N.N'-dialkyl/aryl-ethylenediamines l a - e with equimolar amounts of tetrachlorosilane give the monocyclic aminosilanes 2 a - e in good yields. With two equivalents of the diamines 1 only one spirobicyclic compound, l,4,6,9-tetrabenzyl-l,4,6,9-tetraaza-5-silaspiro[ 4.4]nonane, 4e, can be prepared. It is only via an independent double deprotonation of the diamines that the spirobicyclic ethyl- and isopropyl derivatives 4a and 4b are also becoming available. A ll compounds have been characterized by multi-NMR and mass spectrometry. In three cases (2d, 2e and 4e), the crystal and molecular structures have been determined by X-ray diffraction analysis. A planar silaimidazolidine ring system has been confirmed for the phenyl substituted species 2d, while in the corresponding benzyl substituted homologue 2 e both nitrogen atoms are pyramidal and lead to ring puckering. The silicon atom in 4 e shows a strongly distorted tetrahedral coordination. The endocyclic angle N 1 - Si - N2 = 92.8(1)° is nearly orthogonal, and the angle between the planes defined by the silicon and the two nitrogen atoms of the five-membered rings is 81.4(1)°.

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