Search results for "CONDENSED MATTER"
showing 10 items of 13918 documents
2,2′-Dimethyl-2,2′-(m-phenylenedimethylene)propanedinitrile
2009
The title compound, C16H14N4, features an aromatic ring with two 2,2´-dicyanopropyl residues in positions 1 and 3, which are located above and below the ring plane. The two residues differ in their conformation with respect to the aromatic ring: whereas one of the Cmethyl-C-Cmethylene-Caromatic torsion angles is gauche [68.93 (12)°], the other one is fully staggered [177.63 (9)°]. The crystal structure is stabilized by C-H...N hydrogen-bonding interactions. Key indicators: single-crystal X-ray study; T = 173 K; mean σ(C–C) = 0.002 Å; R factor = 0.037; wR factor = 0.101; data-to-parameter ratio = 15.0.
An unsolvated erbium organyl: (2,4,6,2′′,4′′,6′′-hexamethyl-1,1′:3′;1′′-terphenyl-2′-yl)bis(methylcyclopentadienyl)erbium(III)
2007
The title compound, [Er(Dmp)(C5H4Me)2] (Dmp = 2,6-Mes2C6H3, with Mes = 2,4,6-Me3C6H2) or [Er(C6H7)2(C24H25)], was obtained by the reaction of LiDmp with Er(C5H4Me)3. The Er atom is η5-coordinated by two methylcyclopentadienyl ligands (average Er⋯centroid distance = 2.341 A) and η1-coordinated by the ipso-C atom of the aryl substituent [Er—C = 2.434 (4) A]. An additional π-arene contact with one of the Mes groups [Er⋯C = 3.077 (4) A] gives rise to the pyramidalization of the metal-atom environment.
catena-Poly[benzyltriethylammonium [tri-μ-thiocyanato-κ4N:S;κ2S:N-cadmate(II)]]
2006
The title compound, {[(C6H5CH2)N(C2H5)3][Cd(SCN)3]}n, contains benzyltriethylammonium cations lying between one-dimensional chains of stoichiometry {[Cd(SCN)3]−}n. Each Cd2+ ion is 3N,3S-hexacoordinated by thiocyanate ligands in an octahedral arrangement. The asymmetric unit contains one cation and one anion.
Ethyl 1-acetyl-3-amino-1H-pyrazole-4-carboxylate, a tetragonal structure with Z′ = 4
2006
The title compound, C8H11N3O3, crystallizes with Z' = 4. One pyrazole N atom is substituted and excluded from intermolecular contacts. The amine N, acetyl O and an ester O atom are involved in the formation of nearly planar molecular layers. The layers are perpendicular to the c axis, with an interlayer distance of 3.333 Å. The hydrogen-bonding patterns are similar for each molecule, i.e. intramolecular N-H...O, as well as intermolecular N-H...O and C-H...N(pyrazole), bonds are present.
Inelastic Neutron Scattering Experiments on Van der Waals Glasses - A Test of Recent Microscopic Theories of the Glass Transition
1989
Etude realisee sur un verre d'o-terphenyle afin de montrer l'existence d'une relaxation secondaire presentant des caracteristiques inhabituelles et le comportement Kohbrausch de la fonction de correlation de densite decrivant la relaxation structurale
Gold assisted oxygen dissociation on a molybdenum-doped CaO(001) surface
2016
Using density functional theory (DFT) calculations, we address the adsorption of O2 and the coadsorption of gold species and oxygen molecules on a Mo-doped CaO(001) surface with 1.25% impurity concentration. With the help of the Born–Haber thermodynamic cycle, the enhanced binding of an oxygen molecule on Ca(Mo)O is attributed to energy gain owing to simultaneous electron transfer from the dopant to the molecule and lattice relaxations. We consider three coadsorption structures for an Au atom and O2 molecule with different Au–O2 distances. The calculations demonstrate that the coadsorption structures take one electron from the dopant and the O–Au–O chain structure is thermodynamically more …
Halogen bond preferences of thiocyanate ligand coordinated to Ru(II) via sulphur atom
2017
Halogen bonding between [Ru(bpy)(CO)2(S-SCN)2] (bpy = 2,2’-bipyridine), I2 was studied by co-crystallising the metal compound and diiodine from dichloromethane. The only observed crystalline product was found to be [Ru(bpy)(CO)2(S-SCN)2]⋅I2 with only one NCS⋅⋅⋅I2 halogen bond between I2 and the metal coordinated S atom of one of the thiocyanate ligand. The dangling nitrogen atoms were not involved in halogen bonding. However, computational analysis suggests that there are no major energetic differences between the NCS⋅⋅⋅I2 and SCN⋅⋅⋅I2 bonding modes. The reason for the observed NCS⋅⋅⋅I2 mode lies most probably in the more favourable packing effects rather than energetic preferences between …
The influence of Fe3+ doping on thermally induced crystallization and phase evolution of amorphous calcium phosphate
2021
The present study investigates thermally induced crystallization and phase evolution of amorphous calcium phosphate (ACP) partially substituted with Fe3+ ions (M/P = 1.5 : 1). It was demonstrated that the presence of Fe3+ ions radically changes the crystallization behavior of ACP and completely prevents the formation of α-tricalcium phosphate (α-TCP, Ca3(PO4)2), which is the first crystalline phase obtained from non-substituted ACP upon thermal treatment. Surprisingly, calcium deficient hydroxyapatite (CDHA) was obtained instead of α-TCP. Such unusual crystallization behavior was observed with a doping level as low as 0.1 mol% with respect to Ca ions. Moreover, it was shown that the presenc…
DELAYED ELECTRON EMISSION OF NEGATIVELY CHARGED TUNGSTEN CLUSTERS
1996
The delayed electron emission of negatively charged tungsten clusters has been investigated on a time scale from 1 to 500 ms. After being stored in a Penning trap clusters ions [Formula: see text] were heated via multiphoton absorption (hν=1.81 eV). In contrast to alkali and coinage metals no photofragmentation could be detected. Instead, for all cluster sizes studied so far only a decrease in the initial ion intensity as a function of time after excitation was observed. This decrease is not caused by ion loss from the trap, but has to be attributed to neutralization via delayed electron emission. The presented results strongly suggest that this process can be viewed as “thermionic emissio…
PtTe2: Potential new material for the growth of defect-free TeO2 single crystals
2008
Abstract The dissociation of Te–O bonds is the main drawback, which hampers the yield of large-sized paratellurite single crystals of high optical quality when using platinum crucibles. In this work, it is assumed that a catalytic dissociation process involves the intermediate formation of platinum tellurides, these ones being then responsible for entrapment of gas bubbles and black precipitates when growth proceeds. To alleviate this difficulty, we suggest that platinum ditelluride could be a chemically more appropriate compound instead of pure platinum. First experiments on direct transformation of platinum sheets into PtTe 2 under tellurium gas atmosphere are described, as well as the pr…