Search results for " Alloys"
showing 10 items of 1469 documents
Calculations of the atomic structure of the KNbO3 (110) surface
2000
Abstract The O-terminated KNbO 3 (110) surface is modeled using a semi-empirical shell model and two different short-range interatomic potentials. We find this surface to be unstable with respect to a strong reconstruction and K-termination. This conclusion is confirmed by preliminary calculations using the ab initio linear combination of atomic orbitals (LCAO) formalism.
Profiling of RNA modifications by multiplexed stable isotope labelling
2014
The combination of (15)N/(13)C stable isotope labelling (SIL) and LC-MS/MS revealed a total of 52 modifications in RNA from E. coli and yeast, including 10 previously undescribed modifications. Two modifications, N-ribosylnicotinamide and 2-methylthioadenosine, were newly detected in species hitherto thought not to contain these modifications.
Synthesis ofo-thiatelluraphenylenezirconocenes. X-ray crystal structure of
1992
o-Thiatelluraphenylenezirconocene complexes were obtained in good yield by reaction of dilithiumo-benzenthiatelluride with zirconocene dichlorides. These compounds represent the first examples of heterodichalcogenaphenylene bent metallocences. They were characterized by spectroscopic methods and the effect on the n.m.r. results of stepwise substitution of one and two Te atoms for S is discussed.
Structure, energy and charge transport in two-dimensional crystals of cyanine dyes
1993
Abstract In order to develop systems with controlled energy or charge transfer across molecular dimensions it is highly desirable to build two-dimensional crystals of functional dye molecules: they can be addressed from the third dimension and the lateral intermolecular interactions can be well characterized due to a fixed and defined geometry. In an effort to study these possibilities we prepared crystals of different, negatively charged cyanine dyes, formed after adsorption from a water subphase to a positively charged monolayer. These crystals are one monolayer thick, of uniform dimensions between 10 and 100 μm (depending on nucleation conditions) and of rectangular shape. Single crystal…
New binary antimonide Hf5Sb3
1999
Abstract Hf5Sb3 can be prepared by arc-melting of hafnium and previously synthesized HfSb2. It crystallizes like the high-temperature modification of Zr5Sb3 in the Y5Bi3 structure type, space group Pnma, Z=4, a=740.75(9) pm, b=871.8(1) pm, c=1073.6(1) pm, V=693.3(1) 106pm3. An antimonide analogous to the low-temperature form of Zr5Sb3 was not obtained during our investigations. In the structure of Hf5Sb3, the Hf atoms form a three-dimensional network with numerous short Hf–Hf contacts, including the Sb atoms in severely distorted two- and three-capped trigonal prismatic voids. Calculations of the electronic structure, performed with the extended Huckel approximation as well as the TB-LMTO-A…
Metamagnetic behaviour in a new Cu(ii)Re(iv) chain based on the hexachlororhenate(iv) anion
2014
A new chloro-bridged heterobimetallic Cu(ii)Re(iv) chain of formula {Cu(pyim)(Him)2ReCl6}n·MeCN (·MeCN) has been prepared and magnetostructurally characterised. Compound is the first example of the [Re(IV)Cl6](2-) anion acting as a metalloligand towards a paramagnetic metal ion.
Structure and photoreactivity of stable zwitterionic group 6 metal allenyls
2013
The synthesis and mechanistic study of the unprecedented reactivity of a series of zwitterionic η(1)-metal allenyls are reported.
Hf27Si6P10, a novel metal-rich compound with P2 groups
2000
The new ternary metal rich compound Hf27Si6P10 has been synthesized by reduction of HfP with Hf and Si; Hf27Si6P10 crystallizes in a new structure type, a characteristic and unexpected feature of which is the presence of P2 groups; the structural results are interpreted with the aid of high-level band structure calculations.
Crystal structure and mössbauer spectroscopy studies of the ferrimagnetic complex bimetallic salt hexaamminechromium (III) hexachloroferrate (III), […
1992
The crystal and molecular structures of the ferrimagnetic bimetallic complex salt hexaamminechromium(III) hexachloroferrate(III), [Cr(NH3)6][FeCl6], have been determined from single-crystal, three-dimensional x-ray diffraction counter data. The compound crystallizes as orange coloured crystals in the space groupC2/c of the monoclinic system with Z=4 and has cell dimensionsa=11.325(1) A,b=11.387(1) A,c=11.233(1) A, and β=90.83(1)A. The structure was refined by using segmented block diagonal least-squares techniques to discrepancy indices R and Rw of 0.0233 and 0.0285, respectively. The metal ions occupy sites with symmetry $$\bar 1$$ and are nearly octahedrally coordinated. In the [FeCl6]3− …
Relationships between fatty acid monolayer structure on the subphase and on solid substrates
1991
Abstract Docosanoic acid monolayers with known molecular packings on the water surface have been deposited on thin polymer films and then investigated using transmission electron diffraction at normal and tilted incidence. The diffraction patterns from monolayers deposited under all conditions investigated could be indexed as arising from the same conformationally disordered centred rectangular packing with molecules standing perpendicular to the substrate, although with a spread of unit cell parameters within and between each deposition condition significantly greater than the experimental error. This packing has been seen in monolayers on the water surface, but only under conditions compl…