Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Crystal structure of a binuclear mixed-valence ytterbium complex containing a 2-anthracene-substituted phenoxide ligand.

ABSTRACT: Reaction of 2-(anthracen-9-yl)phenol (HOPhAn, 1) with divalent Yb[N(SiMe₃)₂]₂·2THF in THF-toluene mixtures affords the mixed-valence Yb^II-Yb^III dimer {[2-(anthracen-9-yl)phenolato-?O]bis-(tetra-hydro-furan)-ytterbium(III)}-tris-[?-2-(anthracen-9-yl)phenolato]-?⁴ O:O;?O:1,2-?,?O-{[2-(anthracen-9-yl)phenolato-?O]ytterbium(II)} toluene tris-olvate, [Yb₂(C₂₀H₁₃O)₅(C₄H₈O)₂]·3C₇H₇ or [Yb^III(THF)₂(OPhAn)](?-OPhAn)₃[Yb^II(OPhAn)]·3C₇H₇ (2), as the major product. It crystallized as a toluene tris-olvate. The Yb-O bond lengths in the crystal structure of this dimer clearly identify the Yb^II and Yb^III centres. Inter-estingly, the formally four-coordinate Yb^II centre shows a close contact with one anthracene C-C bond of a bridging OPhAn ligand, bringing the formal coordination number to five.

SUBMITTER: Berg DJ

PROVIDER: S-EPMC6727046 | biostudies-literature | 2019 Sep

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Crystal structure of a binuclear mixed-valence ytterbium complex containing a 2-anthracene-substituted phenoxide ligand.

Berg David J DJ Twamley Brendan B

Acta crystallographica. Section E, Crystallographic communications 20190823 Pt 9

Reaction of 2-(anthracen-9-yl)phenol (HOPhAn, 1) with divalent Yb[N(SiMe3)2]2·2THF in THF-toluene mixtures affords the mixed-valence YbII-YbIII dimer {[2-(anthracen-9-yl)phenolato-κO]bis-(tetra-hydro-furan)-ytterbium(III)}-tris-[μ-2-(anthracen-9-yl)phenolato]-κ4 O:O;κO:1,2-η,κO-{[2-(anthracen-9-yl)phenolato-κO]ytterbium(II)} toluene tris-olvate, [Yb2(C20H1 ...[more]

PMID: 31523468

Similar Datasets

Electronic Structure and Transformation of Dinitrosyl Iron Complexes (DNICs) Regulated by Redox Non-Innocent Imino-Substituted Phenoxide Ligand.

Project description:The coupled NO-vibrational peaks [IR νNO 1775 s, 1716 vs, 1668 vs cm-1 (THF)] between two adjacent [Fe(NO)2] groups implicate the electron delocalization nature of the singly O-phenoxide-bridged dinuclear dinitrosyliron complex (DNIC) [Fe(NO)2(μ-ON2Me)Fe(NO)2] (1). Electronic interplay between [Fe(NO)2] units and [ON2Me]- ligand in DNIC 1 rationalizes that "hard" O-phenoxide moiety polarizes iron center(s) of [Fe(NO)2] unit(s) to enforce a "constrained" π-conjugation system acting as an electron reservoir to bestow the spin-frustrated {Fe(NO)2}9-{Fe(NO)2}9-[·ON2Me]2- electron configuration (Stotal = 1/2). This system plays a crucial role in facilitating the ligand-based redox interconversion, working in harmony to control the storage and redox-triggered transport of the [Fe(NO)2]10 unit, while preserving the {Fe(NO)2}9 core in DNICs {Fe(NO)2}9-[·ON2Me]2- [K-18-crown-6-ether)][(ON2Me)Fe(NO)2] (2) and {Fe(NO)2}9-[·ON2Me] [(ON2Me)Fe(NO)2][PF6] (3). Electrochemical studies suggest that the redox interconversion among [{Fe(NO)2}9-[·ON2Me]2-] DNIC 3 ↔ [{Fe(NO)2}9-[ON2Me]-] ↔ [{Fe(NO)2}9-[·ON2Me]] DNIC 2 are kinetically feasible, corroborated by the redox shuttle between O-bridged dimerized [(μ-ONMe)2Fe2(NO)4] (4) and [K-18-crown-6-ether)][(ONMe)Fe(NO)2] (5). In parallel with this finding, the electronic structures of [{Fe(NO)2}9-{Fe(NO)2}9-[·ON2Me]2-] DNIC 1, [{Fe(NO)2}9-[·ON2Me]2-] DNIC 2, [{Fe(NO)2}9-[·ON2Me]] DNIC 3, [{Fe(NO)2}9-[ONMe]-]2 DNIC 4, and [{Fe(NO)2}9-[·ONMe]2-] DNIC 5 are evidenced by EPR, SQUID, and Fe K-edge pre-edge analyses, respectively.

| S-EPMC10848267 | biostudies-literature

Crystal structure of a mixed-valence μ-oxide Sn12 cluster.

Project description:The mixed-valence μ-oxide Sn12 cluster, deca-carbonyl-tetra-μ4-oxido-hexa-μ3-oxido-tetra-kis-[μ-2,2'-(pyridine-2,6-di-yl)bis(1,1-di-phenyl-ethano-lato)]deca-tin(II)ditin(IV)dimolyb-denum(O)(2 Mo-Sn) toluene hepta-solvate, [Mo2Sn12(C33H27NO2)4O10(CO)10]·7C7H8, has a crystallographically imposed inversion centre. The asymmetric unit also contains three and a half toluene solvent mol-ecules, one of which is disordered about a centre of symmetry. The complex mol-ecule comprises six distinct Sn atom species with four different coordination numbers, namely 3, 4, 5, and 6. The Sn(II) atoms forming the central Sn10O10 core adopt distorted trigonal-pyramidal, square-pyramidal and octa-hedral coordination geometries provided by the μ-oxide atoms and by the O- and N-donor atoms of two pyridinedi-ethano-late ligands. The terminal Sn(IV) atoms have distorted trigonal-bipyramidal coordination geometries, with a μ4-oxide atom and the N atom of a pyridinedi-ethano-late ligand occupying the axial positions, and the Mo atom of a Mo(CO)5 group and the alk-oxy O atoms of a ligand forming the equatorial plane. In the crystal, weak intra- and inter-molecular C-H⋯O hydrogen bonds are observed.

| S-EPMC4257312 | biostudies-literature

Crystal and mol-ecular structures of a binuclear mixed ligand complex of silver(I) with thio-cyanate and 1H-1,2,4-triazole-5(4H)-thione.

Project description:The complete mol-ecule of the binuclear title complex, bis-[?-1H-1,2,4-triazole-5(4H)-thione-?2 S:S]bis-{(thio-cyanato-?S)[1H-1,2,4-triazole-5(4H)-thione-?S]silver(I)}, [Ag2(SCN)2(C2H3N3S)4], is generated by crystallographic inversion symmetry. The independent triazole-3-thione ligands employ the exocyclic-S atoms exclusively in coordination. One acts as a terminal S-ligand and the other in a bidentate (?2) bridging mode to provide a link between two AgI centres. Each AgI atom is also coordinated by a terminal S-bound thio-cyanate ligand, resulting in a distorted AgS4 tetra-hedral coordination geometry. An intra-molecular N-H?S(thio-cyanate) hydrogen bond is noted. In the crystal, amine-N-H?S(thione), N-H?N(triazol-yl) and N-H?N(thio-cyanate) hydrogen bonds give rise to a three-dimensional architecture. The packing is consolidated by triazolyl-C-H?S(thio-cyanate), triazolyl-C-H?N(thiocyanate) and S?S [3.2463?(9)?Å] inter-actions as well as face-to-face ?-? stacking between the independent triazolyl rings [inter-centroid separation = 3.4444?(15)?Å]. An analysis of the calculated Hirshfeld surfaces shows the three major contributors are due to N?H/H?N, S?H/H?S and C?H/H?C contacts, at 35.8, 19.4 and 12.7%, respectively; H?H contacts contribute only 7.6% to the overall surface.

| S-EPMC6944082 | biostudies-literature

Mixed-valence state in the dilute-impurity regime of La-substituted SmB6.

Project description:Homogeneous mixed-valence (MV) behaviour is one of the most intriguing phenomena of f-electron systems. Despite extensive efforts, a fundamental aspect which remains unsettled is the experimental determination of the limiting cases for which MV emerges. Here we address this question for SmB6, a prototypical MV system characterized by two nearly-degenerate Sm2+ and Sm3+ configurations. By combining angle-resolved photoemission spectroscopy (ARPES) and x-ray absorption spectroscopy (XAS), we track the evolution of the mean Sm valence, vSm, in the SmxLa1-xB6 series. Upon substitution of Sm ions with trivalent La, we observe a linear decrease of valence fluctuations to an almost complete suppression at x = 0.2, with vSm ~ 2; surprisingly, by further reducing x, a re-entrant increase of vSm develops, approaching the value of vimp ~ 2.35 in the dilute-impurity limit. Such behaviour departs from a monotonic evolution of vSm across the whole series, as well as from the expectation of its convergence to an integer value for x → 0. Our ARPES and XAS results, complemented by a phenomenological model, demonstrate an unconventional evolution of the MV character in the SmxLa1-xB6 series, paving the way to further theoretical and experimental considerations on the concept of MV itself, and its influence on the macroscopic properties of rare-earth compounds in the dilute-to-intermediate impurity regime.

| S-EPMC11368937 | biostudies-literature

Vertical Orientation of Liquid Crystal on 4-n-Alkyloxyphenoxymethyl-Substituted Polystyrene Containing Liquid Crystal Precursor.

Project description:We synthesized a series of polystyrene derivatives that were modified with precursors of liquid crystal (LC) molecules, such as 4-ethyloxyphenol (homopolymer PEOP and copolymer PEOP#; # = 20, 40, 60, and 80, where # indicates the molar fraction of 4-ethyloxyphenoxymethyl in the side chain), 4-n-butyloxyphenol (PBOP), 4-n-hexyloxyphenol (PHOP), and 4-n-octyloxyphenol (POOP), via polymer modification reaction to investigate the orientation of LC molecules on polymer films, exhibiting part of the LC molecular structure. LC molecules showed a stable and uniform vertical orientation in LC cells fabricated with polymers that have 4-ethyloxyphenoxymethyl in the range of 40-100 mol%. In addition, similar results were obtained in LC cells fabricated with homopolymers of PEOP, PBOP, PHOP, and POOP. The vertical orientation of LC molecules in LC cells fabricated with polymer films correlated to the surface energy of polymer films. For example, vertical LC orientation was observed when the total surface energies of the polymer films were lower than approximately 43.2 mJ/m2. Good alignment stabilities were observed at 150 °C and 20 J/cm2 of ultraviolet irradiation for LC cells fabricated with PEOP film.

| S-EPMC7956854 | biostudies-literature

Crystal structure of hexa-aqua-dichlorido-ytterbium(III) chloride.

Project description:The crystal structure of the title compound, [YbCl2(H2O)6]Cl, was determined at 110 K. Samples were obtained from evaporated aceto-nitrile solutions containing the title compound, which consists of a [YbCl2(H2O)6](+) cation and a Cl(-) anion. The cations in the title compound sit on a twofold axis and form O-H⋯Cl hydrogen bonds with the nearby Cl(-) anion. The coordination geometry around the metal centre forms a distorted square anti-prism. The ytterbium complex is isotypic with the europium complex [Tambrornino et al. (2014 ▶). Acta Cryst. E70, i27].

| S-EPMC4459311 | biostudies-literature

Crystal structure of a mixed-ligand terbium(III) coordination polymer containing oxalate and formate ligands, having a three-dimensional fcu topology.

Project description:The title compound, poly[(μ 3-formato)(μ 4-oxalato)terbium(III)], [Tb(CHO2)(C2O4)] n , is a three-dimensional coordination polymer, and is isotypic with the La(III), Ce(III) and Sm(III) analogues. The asymmetric unit contains one Tb(III) ion, one formate anion (CHO2 (-)) and half of an oxalate anion (C2O4 (2-)), the latter being completed by application of inversion symmetry. The Tb(III) ion is nine-coordinated in a distorted tricapped trigonal-prismatic manner by two chelating carboxyl-ate groups from two C2O4 (2-) ligands, two carboxyl-ate oxygen atoms from another two C2O4 (2-) ligands and three oxygen atoms from three CHO2 (-) ligands, with the Tb-O bond lengths and the O-Tb-O bond angles ranging from 2.4165 (19) to 2.478 (3) Å and 64.53 (6) to 144.49 (4)°, respectively. The CHO2 (-) and C2O4 (2-) anions adopt μ 3-bridging and μ 4-chelating-bridging coordination modes, respectively, linking adjacent Tb(III) ions into a three-dimensional 12-connected fcu topology with point symbol (3(24).4(36).5(6)). The title compound exhibits thermal stability up to 623 K, and also displays strong green photoluminescence in the solid state at room temperature.

| S-EPMC4704756 | biostudies-literature

Crystal structures of two mixed-valence copper cyanide complexes with N-methyl-ethylenedi-amine.

Project description:The crystal structures of two mixed-valence copper cyanide compounds involving N-methyl-ethylenedi-amine (meen), are described. In compound (I), poly[bis(μ3-cyanido-κ3C:C:N)tris(μ2-cyanido-κ2C:N)bis(N-methylethane-1,2-di-amine-κ2N,N')tricopper(I)copper(II)], [Cu4(CN)5(C3H10N2)2] or Cu4(CN)5meen2, cyanide groups link CuI atoms into a three-dimensional network containing open channels parallel to the b axis. In the network, two tetra-hedrally bound CuI atoms are bonded by the C atoms of two end-on bridging CN groups to form Cu2(CN)6 moieties with the Cu atoms in close contact at 2.560 (1) Å. Other trigonally bound CuI atoms link these units together to form the network. The CuII atoms, coordinated by two meen units, are covalently linked to the network via a cyanide bridge, and project into the open network channels. In the mol-ecular compound (II), [(N-methylethylenediamine-κ2N,N')copper(II)]-μ2-cyanido-κ2C:N-[bis(cyanido-κC)copper(I)] monohydrate, [Cu2(CN)3(C3H10N2)2]·H2O or Cu2(CN)3meen2·H2O, a CN group connects a CuII atom coordinated by two meen groups with a trigonal-planar CuI atom coordinated by CN groups. The mol-ecules are linked into centrosymmetric dimers via hydrogen bonds to two water mol-ecules. In both compounds, the bridging cyanide between the CuII and CuI atoms has the N atom bonded to CuII and the C atom bonded to CuI, and the CuII atoms are in a square-pyramidal coordination.

| S-EPMC5290552 | biostudies-literature

Cyclohexyl-Substituted Anthracene Derivatives for High Thermal Stability Organic Semiconductors.

Project description:A novel p-type organic semiconductor with high thermal stability is developed by simply incorporating cyclohexyl substituted aryl groups into the 2,6-position of anthracene, namely 2,6-di(4-cyclohexylphenyl)anthracene (DcHPA), and a similar compound with linear alkyl chain, 2,6-di(4-n-hexylphenyl)anthracene (DnHPA), is also studied for comparison. DcHPA shows sublimation temperature around 360°C, and thin film field-effect transistors of DcHPA could maintain half of the original mobility value when heated up to 150°C. Corresponding DnHPA has sublimation temperature of 310°C and the performance of its thin film devices decreases by about 50% when heated to 80°C. The impressing thermal stability of the cyclohexyl substitution compounds might provide guidelines for developing organic electronic materials with high thermal stability.

| S-EPMC6351495 | biostudies-literature

Crystal structures of two ytterbium(III) complexes comprising alkynylamidinate ligands.

Project description:Two ytterbium(III) complexes comprising alkynylamidinate ligands, namely bis-(η5-cyclo-penta-dien-yl)(3-cyclo-propyl-N,N'-diiso-propyl-propynamidinato-κ2N,N')ytterbium(III), [Yb(C5H5)2(C12H19N2)] or Cp2Yb[( i Pr2N)2C-C≡C-c-C3H5] (1) and tris-(3-phenyl-N,N'-di-cyclo-hexyl-propynamidinato-κ2N,N')ytterbium(III), [Yb(C21H27N2)3] or Yb[(CyN)2C-C≡C-Ph]3 (Cy = cyclo-hex-yl) (2) have been synthesized and structurally characterized. Both complexes are monomers; for complex 2, the contribution to the scattering from highly disordered toluene solvent molecules in these voids was removed with the SQUEEZE routine [Spek (2015). Acta Cryst. C71, 9-18] in PLATON. The stated crystal data for Mr, μ etc. do not take these into account.

| S-EPMC5120694 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data