scholarly journals Creation of new guest accessible space under gas pressure in a flexible MOF: multidimensional insight through combination of in situ techniques

2016 ◽  
Vol 52 (76) ◽  
pp. 11374-11377 ◽  
Author(s):  
Prashant M. Bhatt ◽  
Eustina Batisai ◽  
Vincent J. Smith ◽  
Leonard J. Barbour
Keyword(s):  
Pressure Gradient ◽  
Single Crystal ◽  
Gas Pressure ◽  
Single Crystal Diffraction ◽  
In Situ Techniques

Creation of a new guest accessible space under gas pressure in a flexible MOF studied by in situ single crystal diffraction and Pressure Gradient DSC.

scholarly journals Pressure-and temperature induced phase transitions, piezochromism, NLC behaviour and pressure controlled Jahn–Teller switching in a Cu-based framework

2020 ◽  
Vol 11 (33) ◽  
pp. 8793-8799
Author(s):  
Charles J. McMonagle ◽  
Priyanka Comar ◽  
Gary S. Nichol ◽  
David R. Allan ◽  
Jesús González ◽  
...  
Keyword(s):  
High Pressure ◽  
Phase Transitions ◽  
Single Crystal ◽  
Spectroscopic Techniques ◽  
Single Crystal Diffraction ◽  
Jahn Teller ◽  
Pressure Controlled

In situ high-pressure single-crystal diffraction and spectroscopic techniques have been used to study a previously unreported Cu-framework bis[1-(4-pyridyl)butane-1,3-dione]copper(ii) (CuPyr-I).

scholarly journals Applications with a brighter X-ray source and new detectors from Agilent

2014 ◽  
Vol 70 (a1) ◽  
pp. C1734-C1734
Author(s):  
Zoltan Gal ◽  
Tadeusz Skarzynski ◽  
Fraser White ◽  
Oliver Presly ◽  
Adrian Jones ◽  
...  
Keyword(s):  
Data Quality ◽  
Single Crystal ◽  
Measurement System ◽  
Single Crystal Diffraction ◽  
X Ray ◽  
Vacuum Technology ◽  
Intelligent Measurement ◽  
Wide Range

Agilent Technologies develop and supply X-ray systems for single-crystal diffraction research, including the SuperNova; a compact, highly reliable and very low maintenance instrument providing X-ray data of the highest quality; and the PX Scanner for testing and characterization of protein crystals in their original crystallization drops (in-situ). The SuperNova and PX Scanner are constantly improving, with recent enhancements including a new range of detectors using an Intelligent Measurement System. The Eos S2, Atlas S2 and Titan S2 detector range employs a smart sensitivity control of the electronic gain and is capable of instantaneously switching its binning modes thus providing unprecedented flexibility in tuning every exposure to provide the highest data quality for a wide range of experiments. We have also developed a completely new micro-focus X-ray source based on Gradient Vacuum technology, with novel filament and target designs. This novel source is an integral part of the new Agilent GV1000 X-ray diffractometer, which has been designed for applications that require even higher brightness of the X-ray beam.

In Situ Observation of the Oxygen Nucleation in Silicon with X-Ray Single Crystal Diffraction

2011 ◽  
Vol 178-179 ◽  
pp. 353-359 ◽  
Author(s):  
Johannes Will ◽  
Alexander Gröschel ◽  
Christoph Bergmann ◽  
Andreas Magerl
Keyword(s):  
Single Crystal ◽  
Waller Factor ◽  
Dynamical Theory ◽  
Mean Value ◽  
Single Crystal Diffraction ◽  
X Ray ◽  
Float Zone ◽  
Debye Waller Factor ◽  
The Mean

The measurement of Pendellösungs oscillations was used to observe the time dependent nucleation of oxygen in a Czochralski grown single crystal at 750°C. It is shown, that the theoretical approach of the statistical dynamical theory describes the data well. Within the framework of this theory it is possible to determine the static Debye-Waller-factor as a function of the annealing time by evaluating the mean value of the Bragg intensity and the period length. The temperature influence on the Pendellösungs distance was corrected for by measurement of a Float-zone sample at the same temperature.

scholarly journals Raman Spectroscopy and Single-Crystal High-Temperature Investigations of Bentorite, Ca6Cr2(SO4)3(OH)12·26H2O

Minerals ◽  
2019 ◽  
Vol 10 (1) ◽  
pp. 38
Author(s):  
Rafał Juroszek ◽  
Biljana Krüger ◽  
Irina Galuskina ◽  
Hannes Krüger ◽  
Martina Tribus ◽  
...  
Keyword(s):  
Crystal Structure ◽  
High Temperature ◽  
Single Crystal ◽  
Chemical Formula ◽  
Crystal Chemical Formula ◽  
Single Crystal Diffraction ◽  
Bending Vibrations ◽  
X Ray ◽  
First Time

The crystal structure of bentorite, ideally Ca6Cr2(SO4)3(OH)12·26H2O, a Cr3+ analogue of ettringite, is for the first time investigated using X-ray single crystal diffraction. Bentorite crystals of suitable quality were found in the Arad Stone Quarry within the pyrometamorphic rock of the Hatrurim Complex (Mottled Zone). The preliminary semi-quantitative data on the bentorite composition obtained by SEM-EDS show that the average Cr/(Cr + Al) ratio of this sample is >0.8. Bentorite crystallizes in space group P31c, with a = b = 11.1927(5) Å, c =21.7121(10) Å, V = 2355.60(18) Å3, and Z = 2. The crystal structure is refined, including the hydrogen atom positions, to an agreement index R1 = 3.88%. The bentorite crystal chemical formula is Ca6(Cr1.613Al0.387)Σ2[(SO4)2.750(CO3)0.499]Σ3.249(OH)11.502·~25.75H2O. The Raman spectra of bentorite from two different localities exhibit the presence of the main stretching and bending vibrations related to the sulfate group at 983 cm−1 (ν1), 1109 cm−1 (ν3), 442 cm−1 (ν2), and 601 cm−1 (ν4). Moreover, the presence of bands assigned to the symmetric Cr(OH)63− stretching mode and hydroxyl deformation vibrations of Cr–OH units at ~540 cm−1 and ~757 cm−1, respectively, may be used to distinguish between ettringite and bentorite. In situ high temperature single crystal XRD experiments show that the decomposition of bentorite starts at ca. 45 °C and that a dehydroxylation product similar to metaettringite is formed.

A new dynamic framework with direct in situ visualisation of breathing under CO2 gas pressure

CrystEngComm ◽  
2019 ◽  
Vol 21 (22) ◽  
pp. 3415-3419 ◽  
Author(s):  
Phumile Sikiti ◽  
Charl X. Bezuidenhout ◽  
Dewald P. van Heerden ◽  
Leonard J. Barbour
Keyword(s):  
Single Crystal ◽  
Diffraction Analysis ◽  
Gas Pressure ◽  
X Ray Diffraction ◽  
Co2 Gas ◽  
X Ray ◽  
Dynamic Framework

Structural evidence from in situ single-crystal X-ray diffraction analysis reveals flexibility in a new non-interpenetrated pillared-layer MOF that switches between a wide-pore and a narrow-pore form.

scholarly journals Is single-crystal diffraction a suitable technique to study jumping crystals in situ?

2018 ◽  
Vol 74 (a2) ◽  
pp. e124-e125
Author(s):  
Michele Zema ◽  
Željko Skoko ◽  
Gennaro Ventruti ◽  
Jasminka Popović ◽  
Serena C. Tarantino
Keyword(s):  
Single Crystal ◽  
Single Crystal Diffraction ◽  
Suitable Technique

scholarly journals Design and use of a sapphire single-crystal gas-pressure cell for in situ neutron powder diffraction

2021 ◽  
Vol 54 (3) ◽  
Author(s):  
Raphael Finger ◽  
Nadine Kurtzemann ◽  
Thomas C. Hansen ◽  
Holger Kohlmann
Keyword(s):  
Single Crystal ◽  
Powder Diffraction ◽  
Neutron Powder Diffraction ◽  
Gas Pressure ◽  
Sample Holder ◽  
Pressure Cell ◽  
Hydrogen Deuterium ◽  
Sapphire Single Crystal ◽  
Deuterium Gas

A sapphire single-crystal gas-pressure cell without external support allowing unobstructed optical access by neutrons has been developed and optimized for elastic in situ neutron powder diffraction using hydrogen (deuterium) gas at the high-intensity two-axis diffractometer D20 at the Institut Laue-Langevin (Grenoble, France). Given a proper orientation of the single-crystal sample holder with respect to the detector, parasitic reflections from the sample holder can be avoided and the background can be kept low. Hydrogen (deuterium) gas pressures of up to 16.0 MPa at 298 K and 8.0 MPa at 655 K were tested successfully for a wall thickness of 3 mm. Heating was achieved by a two-sided laser heating system. The typical time resolution of in situ investigations of the reaction pathway of hydrogen (deuterium) uptake or release is on the order of 1 min. Detailed descriptions of all parts of the sapphire single-crystal gas-pressure cell are given, including materials information, technical drawings and instructions for use.

scholarly journals A double-walled sapphire single-crystal gas-pressure cell (type III) for in situ neutron diffraction

2022 ◽  
Vol 55 (1) ◽  
Author(s):  
Raphael Finger ◽  
Thomas C. Hansen ◽  
Holger Kohlmann
Keyword(s):  
Neutron Diffraction ◽  
Single Crystal ◽  
Ambient Pressure ◽  
Functional Materials ◽  
Gas Pressure ◽  
Elastic Neutron ◽  
Type Iii ◽  
Pressure Cell ◽  
Sapphire Single Crystal

In situ neutron diffraction is an important characterization technique for the investigation of many functional materials, e.g. for hydrogen uptake and release in hydrogen storage materials. A new sapphire single-crystal gas-pressure cell for elastic neutron scattering has been developed and evaluated; it allows conditions of 298 K and 9.5 MPa hydrogen pressure and 1110 K at ambient pressure. The pressure vessel consists of a sapphire single-crystal tube of 35 mm radius and a sapphire single-crystal crucible as sample holder. Heating is realized by two 100 W diode lasers. It is optimized for the D20 diffractometer, ILL, Grenoble, France, and requires the use of a radial oscillating collimator. Its advantages over earlier sapphire single-crystal gas-pressure cells are higher maximum temperatures and lower background at low and high diffraction angles. The deuterium uptake in palladium was followed in situ for validation, proving the potential of the type-III gas-pressure cell for in situ neutron diffraction on solid–gas reactions.

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