Search results for "Single crystal"

Entrapment of a linear water pentamer into a uranyl-salophen dimer in the solid state

2019

In the solid state, uranyl-salophen complex 1, decorated with bipyridyl sidearms, self-assembles from moist acetonitrile into dimeric species displaying a confined water pentamer, as observed by X-...

Bi-2212 and Y123 highly curved single-crystal-like objects: whiskers, bows and ring-like structures

2012

High-temperature superconducting objects of Bi2Sr2CaCu2O8 and Y Ba2Cu3O7 highly curved in the ab-plane, such as curved/kinked whiskers, bows and ring-like structures, were obtained within a solid?liquid?solid (SLS) grass-like growth mechanism. As-grown objects are crystals with three-dimensional epitaxy similar to conventional single crystals: they can be viewed as crystal parts ?cut? from a conventional rectangular crystal. Between our curved objects and conventional crystals, whiskers or thin films there are some differences in the superconducting properties induced only by the shape factors and no new physics is observed. Some details of the growth mechanism are discussed, emphasizing cu…

Gallium preference for the occupation of tetrahedral sites in Lu3(Al5-xGax)O12multicomponent garnet scintillators according to solid-state nuclear ma…

2019

Abstract In this study, the distributions of aluminum and gallium atoms over the tetrahedral and octahedral sites in the garnet structure were investigated in mixed Lu3Al5-xGaxO12 crystals by using 27Al and 71Ga magic angle spinning nuclear magnetic resonance (NMR) and single crystal 71Ga NMR. The experimental study was supported by theoretical calculations based on density functional theory (DFT) in order to predict the trends in terms of the substitutions of Al by Ga in the mixed garnets. Both the experimental and theoretical results indicated the non-uniform distribution of Al and Ga over the tetrahedral and octahedral sites in the garnet structure, with a strong preference for Ga occupy…

Energy Transport in SiO2 Crystals: Luminescence Excitation Spectra of Stishovite and α-Quartz

2022

The financial support of the Latvian Science Council Grant No lzp-2021/1-0215 and the funding of the University of Latvia as the Centre of Excellence within the European Union's Horizon 2020 Framework Programme H2020-WIDESPREAD-01-2016-2017-TeamingPhase2 under grant agreement No. 739508, project CAMART2, are greatly acknowledged.

Photoluminescence and Electron Spin Resonance of Silicon Dioxide Crystal with Rutile Structure (Stishovite)

2018

This work was supported by ERANET MYND. Also, financial support provided by Scientific Research Project for Students and Young Researchers Nr. SJZ/2017/2 realized at the Institute of Solid State Physics, University of Latvia is greatly acknowledged. The authors express our gratitude to R.I. Mashkovtsev for help in ESR signal interpretation. The authors are appreciative to T.I. Dyuzheva, L.M. Lityagina, N.A. Bendeliani for stishovite single crystals and to K. Hubner and H.-J. Fitting for stishovite powder of Barringer Meteor Crater.

Ag44(EBT)26(TPP)4 Nanoclusters with Tailored Molecular and Electronic Structure

2021

Although atomically precise metalloid nanoclusters (NCs) of identical size with distinctly different molecular structures are highly desirable to understand the structural effects on the intriguing optical and photophysical properties, their synthesis remains highly challenging. Herein, we employed phosphine and thiol capping ligands featuring appropriate steric effects and synthesized a charge‐neutral Ag NC with the formula, Ag 44 (EBT) 26 (TPP) 4 (EBT: 2‐ethylbenzenethiolate; TPP: triphenylphosphine). The single‐crystal X‐ray structure reveals that this NC has a hollow metal core of Ag 12 @Ag 20 and a metal‐ligand shell of Ag 12 (EBT) 26 (TPP) 4 . The presence of mixed ligands and long V‐…

Characterization of synthetic Fe-Mg silicate spinels in the gamma-(Mgx,Fe1-x)2SiO4 series by means of single crystal XRD (x=0,0.4,0.5)

2009

Jahn–Teller effects in Au25(SR)18

2016

The relationship between oxidation state, structure, and magnetism in many molecules is well described by first-order Jahn–Teller distortions. This relationship is not yet well defined for ligated nanoclusters and nanoparticles, especially the nano-technologically relevant gold-thiolate protected metal clusters. Here we interrogate the relationships between structure, magnetism, and oxidation state for the three stable oxidation states, −1, 0 and +1 of the thiolate protected nanocluster Au25(SR)18. We present the single crystal X-ray structures of the previously undetermined charge state Au25(SR)18+1, as well as a higher quality single crystal structure of the neutral compound Au25(SR)180. …

Vibrational Perturbations and Ligand–Layer Coupling in a Single Crystal of Au144(SC2H4Ph)60 Nanocluster

2015

We have determined vibrational signatures and optical gap of the Au144(PET)60 (PET: phenylethylthiol, SC2H4Ph) nanocluster solvated in deuterated dichloromethane (DCM-D2, CD2Cl2) and in a single crystal. For crystals, solid-state (13)C NMR and X-ray diffraction were also measured. A revised value of 2200 cm(-1) (0.27 eV) was obtained for the optical gap in both phases. The vibrational spectra of solvated AU144(PET)60 closely resembles that of neat PET, while the crystalline-state spectrum exhibits significant inhomogeneous spectral broadening, frequency shifts, intensity transfer between vibrational modes, and an increase in the overtone and combination transition intensities. Spectral broa…

Cadmium Metal–Organic Frameworks Based on Ditopic Triazamacrocyclic Linkers: Unusual Structural Features and Selective CO 2 Capture

2017

International audience; Two three-dimensional cadmium metal organic frameworks with general formula [Cd-2(L-1)(H2O)(3)](NO3)(0.7)(HCOO)(0.2)Br-0.1 (Cd2L1, L-1 = 1,4,7-tris(4-carboxybenzy1)-1,4,7-triazacyclononane) and Cd(HL2)(H2O)(2) (CdL2, L-2 = 1,4,7-tris(3-(4-benzoate)prop-2-yn-1-yl)-1,4,7-triazacydononane) based on 1,4,7-triazacyclononane N-functionalized by different arylcarboxylic acids were prepared under solvothermal conditions and characterized by single crystal X-ray analysis and porosity measurements. The crystal structure of Cd2L1 reveals a cationic net with a bcs topology,. and nodes are constituted by dinuclear cadmium complexes, in which each cadmium atom adopts a hexacoordin…