Search results for "Crystal"
showing 10 items of 22886 documents
Evolution of microstructure and related optical properties of ZnO grown by atomic layer deposition.
2013
A study of transmittance and photoluminescence spectra on the growth of oxygen-rich ultra-thin ZnO films prepared by atomic layer deposition is reported. The structural transition from an amorphous to a polycrystalline state is observed upon increasing the thickness. The unusual behavior of the energy gap with thickness reflected by optical properties is attributed to the improvement of the crystalline structure resulting from a decreasing concentration of point defects at the growth of grains. The spectra of UV and visible photoluminescence emissions correspond to transitions near the band-edge and defect-related transitions. Additional emissions were observed from band-tail states near th…
Atomic layer deposition of AlN from AlCl3 using NH3 and Ar/NH3 plasma
2018
The atomic layer deposition (ALD) of AlN from AlCl3 was investigated using a thermal process with NH3 and a plasma-enhanced (PE)ALD process with Ar/NH3 plasma. The growth was limited in the thermal process by the low reactivity of NH3, and impractically long pulses were required to reach saturation. Despite the plasma activation, the growth per cycle in the PEALD process was lower than that in the thermal process (0.4A ° vs 0.7A ° ). However, the plasma process resulted in a lower concentration of impurities in the films compared to the thermal process. Both the thermal and plasma processes yielded crystalline films; however, the degree of crystallinity was higher in the plasma process. The…
4,4'-[Thiophene-2,5-diylbis(ethyne-2,1-diyl)]dibenzonitrile
2008
In the solid state, the title compound, C(22)H(10)N(2)S, forms centrosymmetric dimers by pairs of non-classical C-H⋯S hydrogen bonds linking approximately coplanar mol-ecules. The benzene ring involved in this inter-action makes a dihedral angle of only 7.21 (16)° with the thio-phene ring, while the other benzene ring is twisted somewhat out of the plane, with a dihedral angle of 39.58 (9)°. The hydrogen-bonded dimers stack on top of each other with an inter-planar spacing of 3.44 Å. C-H⋯N hydrogen bonds link together stacks that run in approximately perpendicular directions. Each mol-ecule thus inter-acts with 12 adjacent mol-ecules, five of them approaching closer than the sum of the van …
New charge transfer salts of two organic π-donors of the tetrathiafulvalene type with the paramagnetic [Cr(NCS)6]3- anion
2003
cited By 9; International audience; The electrochemical combination of the paramagnetic anion [Cr(NCS)6]3- with the organic π-donors bis(ethylenedithio)tetrathiafulvalene (ET) and 4,5-bis(2-hydroxyethylthio) -4′,5′-ethylenedithiotetrathiafulvalene (DHET-EDTTTF) leads to two new radical cation salts, namely (ET)4 [Cr(NCS 6]·PhCN 1 and (DHET-EDTTTF)2 (NEt4)[Cr(NCS)6] 2. Both have been characterized by X-ray crystallography, magnetic and resistivity measurements. The structure of 1 consists of alternating inorganic layers generated by the anions and organic layers in which the PhCN molecules are inserted; the organic sub-lattice is built up from four different ET units, three of them with a ch…
{2-[Bis(2,4-di-tert-butylphenoxy)phosphanyloxy-κP]-3,5-di-tert-butylphenyl-κC1}{3,3′-di-tert-butyl-5,5′-dimethoxy-2,2′-bis[(1,1,2,2-tetraphenylethane…
2016
The molecule of the title compound, [Rh(C42H62O3P)(C74H68O4P2]·2.7C7D8, consists of two phospharhodacyclic substructures sharing the Rh atom, which are formed by coordination/ortho-metallation of a triaryl phosphite, and by the coordination of a rigid bisphosphite, respectively. The metal displays a tetrahedrally distorted square-planar coordination geometry. A tert-butyl group shows rotational disorder over two positions with refined site occupancy of 0.561 (3):0.439 (3). Two partial-occupancy toluene solvent molecules are disordered over two orientations with site occupancies of 0.5:0.3 and 0.5:0.4, respectively. Intramolecular C—H...O hydrogen bonds are observed. In the crystal, complex …
DFT Prediction of Enhanced Reducibility of Monoclinic Zirconia upon Rhodium Deposition.
2018
Oxides are an important class of materials and are widely used, for example, as supports in heterogeneous catalysis. In a number of industrial catalytic processes, oxide supports actively participate in chemical transformations by releasing lattice oxygen anions. While this is intuitively understood for reducible oxides, the reducibility of irreducible oxides may be modified via nanoengineering or upon inclusion of foreign species. Our calculations predict that the ability of irreducible monoclinic zirconia to release oxygen improves substantially upon deposition of rhodium. Through a comprehensive screening of Rh/ZrO2 with different size of the rhodium species, we find that a Rh adatom and…
Preparation of a Series of “Ru(p-cymene)” Complexes with Different N-Heterocyclic Carbene Ligands for the Catalytic β-Alkylation of Secondary Alcohol…
2008
A series of five different “(p-cymene)Ru(NHC)” complexes (NHC = imidazolin-2-ylidene, imidazolin-4-ylidene, and pyrazolin-3-ylidene) have been obtained and fully characterized. The crystal structure of two of the new complexes has been determined by X-ray diffraction methods. All five complexes have been tested in the catalytic β-alkylation of secondary alcohols with primary alcohols and the dimerization of phenylacetylene, showing an excellent activity in both processes. A clear improvement on the catalytic activity of the complexes is observed when the more basic NHC ligands are used. The pyrazolylidene-Ru complex lies among the best catalysts for the β-alkylation of secondary alcohols re…
Synthesis, NMR spectral and structural studies on mixed ligand complexes of Pd(II) dithiocarbamates: First structural report on palladium(II) dithioc…
2016
Abstract Three new mixed ligand complexes of palladium(II) dithiocarbamates; [Pd(4-dpmpzdtc)(PPh3)(SCN)] (1), [Pd(4-dpmpzdtc)(PPh3)Cl] (2) and [Pd(bzbudtc)(PPh3)Cl] (3), (where, 4-dpmpzdtc = 4-(diphenylmethyl)piperazinecarbodithioato anion, bzbudtc = N-benzyl-N-butyldithiocarbamato anion and PPh3 = triphenylphosphine) have been synthesized from their respective parent dithiocarbamates by ligand exchange reactions and characterized by IR and NMR (1H, 13C and 31P) spectroscopy. IR and NMR spectral data support the isobidentate coordination of the dithiocarbamate ligands in all complexes (1–3) in solid and in solution, respectively. Single crystal diffraction analysis of complexes 1–3 evidence…
Hexagonal Microparticles from Hierarchical Self-Organization of Chiral Trigonal Pd3L6 Macrotetracycles
2021
Construction of structurally complex architectures using inherently chiral, asymmetric, or multi-heterotopic ligands is a major challenge in metallosupramolecular chemistry. Moreover, the hierarchical self-organization of such complexes is unique. Here, we introduce a water-soluble, facially amphiphilic, amphoteric, chiral, asymmetric, and hetero-tritopic ligand derived from natural bile acid, ursodeoxycholic acid. We show that via the supramolecular transmetalation reaction, using nitrates of Cu(II) or Fe(III), and subsequently Pd(II), a superchiral Pd3L6 complex can be obtained. Even though several possible constitutional isomers of Pd3L6 could be formed, because of the ligand asymmetry a…
CCDC 294531: Experimental Crystal Structure Determination
2007
Related Article: C.J.Gomez-Garcia, E.Coronado, S.Curreli, C.Gimemez-Saiz, P.Deplano, M.L.Mercuri, L.Pilia, A.Serpe, C.Faulmann, E.Canadell|2006|Chem.Commun.||4931|doi:10.1039/b610408h