scholarly journals Crystal design by CH...N and N...N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds

2020 ◽  
Vol 76 (6) ◽  
pp. 1136-1142
Author(s):  
Anna Olejniczak ◽  
Anna Katrusiak ◽  
Marcin Podsiadło ◽  
Andrzej Katrusiak
Keyword(s):  
High Pressure ◽  
Nitrogen Content ◽  
High Nitrogen Content ◽  
X Ray Diffraction ◽  
High Nitrogen ◽  
Methyl Derivative ◽  
Intermolecular Contacts ◽  
Diamond Anvil ◽  
Crystal Design

High-nitrogen-content compounds 6-azido-1,2,4-triazolo[4,3-b]pyridazine (C5H3N7) and its 3-methyl derivative (C6H5N7) have been in situ crystallized in a diamond-anvil cell and their structures determined by single-crystal X-ray diffraction. Under ambient and high-pressure conditions the crystallizations yield the same phases: the C5H3N7 anhydrate and C6H5N7 hydrated clathrate. In both the structures there are clearly distinguished regions of short CH...N and N...N intermolecular contacts, the latter involving exclusively the azide groups. High pressure initially increases the contents of water in the channel pores of the clathrate.

PHASE TRANSITION IN LAYERED PEROVSKITE LIKE MANGANATE Ca3Mn2O7 UNDER HIGH PRESSURE

2001 ◽  
Vol 15 (18) ◽  
pp. 2491-2497 ◽  
Author(s):  
J. L. ZHU ◽  
L. C. CHEN ◽  
R. C. YU ◽  
F. Y. LI ◽  
J. LIU ◽  
...  
Keyword(s):  
Crystal Structure ◽  
High Pressure ◽  
Diamond Anvil Cell ◽  
The Other ◽  
Layered Perovskite ◽  
X Ray Diffraction ◽  
Two Phase ◽  
X Ray ◽  
Diamond Anvil

In situ high pressure energy dispersive X-ray diffraction measurements on layered perovskite-like manganate Ca 3 Mn 2 O 7 under pressures up to 35 GPa have been performed by using diamond anvil cell with synchrotron radiation. The results show that the structure of layered perovskite-like manganate Ca 3 Mn 2 O 7 is unstable under pressure due to the easy compression of NaCl-type blocks. The structure of Ca 3 Mn 2 O 7 underwent two phase transitions under pressures in the range of 0~35 GPa. One was at about 1.3 GPa with the crystal structure changing from tetragonal to orthorhombic. The other was at about 9.5 GPa with the crystal structure changing from orthorhombic back to another tetragonal.

Pressure-frozen 1,2,3-trichloropropane

2006 ◽  
Vol 62 (6) ◽  
pp. 1071-1077 ◽  
Author(s):  
Marcin Podsiadło ◽  
Andrzej Katrusiak
Keyword(s):  
Molecular Conformation ◽  
Elevated Pressure ◽  
Aliphatic Chain ◽  
X Ray Diffraction ◽  
Molecular Arrangement ◽  
Intermolecular Contacts ◽  
Diamond Anvil ◽  
Van Der Waals Radii ◽  
Cl Atoms

The structure of 1,2,3-trichloropropane, ClCH2CHClCH2Cl, in-situ crystallized in a diamond–anvil cell, has been determined by single-crystal X-ray diffraction at 0.28 and 0.35 GPa. A melting point at 295 K and 0.22 GPa has been determined. The molecular conformation of aliphatic chain and terminal Cl atoms is approximately C 2 symmetric. Of the intermolecular contacts, the tightest are the Cl...Cl and then the Cl...H contacts, whereas the H...H distances are considerably longer than the sum of the van der Waals radii and leave narrow voids in the structure. The elevated pressure reduces the H...H separations but hardly affects the Cl...Cl distances. The crystal growth rates, compression and types of intermolecular interactions in the structures can be correlated with the directions of the Cl...Cl contacts, which can be considered the main motif responsible for the molecular arrangement in the structure.

scholarly journals A kinetic model for in situ coking denitrification of heavy oil with high nitrogen content based on starch using a structure-oriented lumping method

RSC Advances ◽  
2018 ◽  
Vol 8 (57) ◽  
pp. 32707-32718
Author(s):  
Zhongwen He ◽  
Hui Xu ◽  
Changlu Zhou ◽  
Zhong Xin ◽  
Jichang Liu ◽  
...  
Keyword(s):  
Kinetic Model ◽  
Nitrogen Content ◽  
Heavy Oil ◽  
High Nitrogen Content ◽  
High Nitrogen ◽  
Delayed Coking ◽  
Entire Process ◽  
Denitrification Process

In this study, in situ coking denitrification technology was utilized to simplify the entire process by adding an appropriate quantity of denitrification agents to the delayed-coking tower without any further follow-up denitrification process.

An easy to use X-ray collimator for Mao-Bell type diamond anvil cell

2006 ◽  
Vol 21 (4) ◽  
pp. 320-322 ◽  
Author(s):  
P. Ch. Sahu ◽  
N. R. Sanjay Kumar ◽  
N. V. Chandra Shekar ◽  
N. Subramanian
Keyword(s):  
High Pressure ◽  
Diamond Anvil Cell ◽  
Radiation Safety ◽  
Incident Beam ◽  
X Ray Diffraction ◽  
X Ray ◽  
Safety Requirements ◽  
Diamond Anvil ◽  
Special Precaution

An incident beam X-ray collimator for Mao-Bell type diamond anvil cell (DAC) has been developed. Alignment of the collimator is carried out in situ while viewing the image of the collimated X-ray spot formed on a thin layer of fluorescent material spread on the diamond anvil culets with the help of a microscope. Special precaution has been taken to meet the radiation safety requirements during alignment and routine use. This collimator is of immense help for laboratory based high pressure X-ray diffraction experiments.

HIGH-PRESSURE STRUCTURE STUDY OF CuBa2Ca3Cu4O10 + δ SUPERCONDUCTOR

2005 ◽  
Vol 19 (06) ◽  
pp. 313-316
Author(s):  
X. M. QIN ◽  
Y. YU ◽  
G. M. ZHANG ◽  
F. Y. LI ◽  
J. LIU ◽  
...  
Keyword(s):  
Crystal Structure ◽  
High Pressure ◽  
Room Temperature ◽  
Diamond Anvil Cell ◽  
Structure Study ◽  
X Ray Diffraction ◽  
X Ray ◽  
Diamond Anvil ◽  
Murnaghan Equation

In-situ high-pressure energy dispersive X-ray diffraction measurements on CuBa 2- Ca 3 Cu 4 O 10 + δ (Cu-1234) have been performed by using diamond anvil cell (DAC) device with synchrotron radiation. The results suggest that the crystal structure of Cu-1234 superconductor is stable under pressures up to 34 GPa at room temperature. According to the Birch–Murnaghan equation of state, the bulk modulus is obtained to be ~ 150 GPa.

Curious cases of 3,6-dinitropyrazolo[4,3-c]pyrazole-based energetic cocrystals with high nitrogen content: an alternative to salt formation

2015 ◽  
Vol 51 (34) ◽  
pp. 7337-7340 ◽  
Author(s):  
Jiaheng Zhang ◽  
Damon A. Parrish ◽  
Jean'ne M. Shreeve
Keyword(s):  
Single Crystal ◽  
Nitrogen Content ◽  
Salt Formation ◽  
High Nitrogen Content ◽  
X Ray Diffraction ◽  
High Nitrogen ◽  
X Ray

Two structurally interesting 3,6-dinitropyrazolo[4,3-c]pyrazole-based energetic cocrystals were created and confirmed by single crystal X-ray diffraction.

In situ high-pressure crystallization and compression of halogen contacts in dichloromethane

2005 ◽  
Vol 61 (5) ◽  
pp. 595-600 ◽  
Author(s):  
Marcin Podsiadło ◽  
Kamil Dziubek ◽  
Andrzej Katrusiak
Keyword(s):  
Diamond Anvil Cell ◽  
Crystal Habit ◽  
Temperature Phase ◽  
X Ray Diffraction ◽  
X Ray ◽  
Intermolecular Contacts ◽  
Diamond Anvil ◽  
Pressure Crystallization ◽  
Low Temperature Phase

The structure of dichloromethane, CH2Cl2, crystallized in situ in a diamond–anvil cell, has been determined by single-crystal X-ray diffraction at 1.33 and 1.63 GPa. The pressure-frozen crystal was determined to be orthorhombic, with the space group Pbcn, and isostructural with the low-temperature phase at 0.1 MPa. The CH2Cl2 molecules are located on one set of crystallographic twofold axes. The characteristics determined for the CH2Cl2 crystal (compression of the close intermolecular contacts, molecular association and the crystal habit of dichloromethane) suggest that the crystal cohesion forces are dominated by H...Cl interactions rather than by Cl...Cl attractions.

scholarly journals Performance of Carbide Alloy Compounds in Carbon Doped MoNbTaW

Crystals ◽  
2021 ◽  
Vol 11 (9) ◽  
pp. 1073
Author(s):  
Congyan Zhang ◽  
Uttam Bhandari ◽  
Jialin Lei ◽  
Congyuan Zeng ◽  
Shengmin Guo ◽  
...  
Keyword(s):  
High Pressure ◽  
High Temperature ◽  
X Ray Diffraction ◽  
Complex Alloy ◽  
Carbon Doped ◽  
Refractory Elements ◽  
Diamond Anvil ◽  
The Stability ◽  
Bcc Phase

In this work, the performance of the carbon doped compositionally complex alloy (CCA) MoNbTaW was studied under ambient and high pressure and high temperature conditions. TaC and NbC carbides were formed when a large concentration of carbon was introduced while synthesizing the MoNbTaW alloy. Both FCC carbides and BCC CCA phases were detected in the sample compound at room temperature, in which the BCC phase was believed to have only refractory elements MoNbTaW while FCC carbide came from TaC and NbC. Carbides in the carbon doped MoNbTaW alloy were very stable since no phase transition was obtained even under 3.1 GPa and 870 °C by employing the resistor-heating diamond anvil cell (DAC) synchrotron X-ray diffraction technique. Via in situ examination, this study confirms the stability of carbides and MoNbTaW in the carbon doped CCA even under high pressure and high temperature.

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