Structural Changes Occurring in the Phase Transition of Ferroelectric Liquid Crystals [I Temperature Dependence of the X-Ray Diffraction and FTIR/Raman Spectra

1991 ◽  
Vol 200 (1) ◽  
pp. 145-155 ◽  
Author(s):  
Kohji Tashiro ◽  
Jian-An Hou ◽  
Masamichi Kobayashi
1989 ◽  
Vol 03 (16) ◽  
pp. 1247-1250 ◽  
Author(s):  
XIANG ZHANG ◽  
ZHENGMIN SUN ◽  
DUAN FENG ◽  
GUOZHEN LI

The temperature dependence of the molecular tilt angle in a series of ferroelectric liquid crystals is deduced from X-ray diffraction measurement. The critical exponent β has been estimated from the experimental data. The non-classical value of β for the compounds lies in the range 0.36–0.41.


2009 ◽  
Vol 65 (6) ◽  
pp. 770-781 ◽  
Author(s):  
Tatiana N. Drebushchak ◽  
Yury A. Chesalov ◽  
Elena V. Boldyreva

Structural changes in the high-temperature ∊-polymorph of chlorpropamide, 4-chloro-N-(propylaminocarbonyl)benzenesulfonamide, C10H13ClN2O3S, on cooling down to 100 K and on reverse heating were followed by single-crystal X-ray diffraction. At temperatures below 200 K the phase transition into a new polymorph (termed the ∊′-form) has been observed for the first time. The polymorphic transition preserves the space group Pna21, is reversible and is accompanied by discontinuous changes in the cell volume and parameters, resulting from changes in molecular conformation. As shown by IR spectroscopy and X-ray powder diffraction, the phase transition in a powder sample is inhomogeneous throughout the bulk, and the two phases co-exist in a wide temperature range. The cell parameters and the molecular conformation in the new polymorph are close to those in the previously known α-polymorph, but the packing of the z-shaped molecular ribbons linked by hydrogen bonds inherits that of the ∊-form and is different from the packing in the α-polymorph. A structural study of the α-polymorph in the same temperature range has revealed no phase transitions.


Author(s):  
S. Kek ◽  
M. Aroyo ◽  
U. Bismayer ◽  
C. Schmidt ◽  
K. Eichhorn ◽  
...  

AbstractIn this study it is shown that the antiferrodistortive phase transition in titanite, CaTiSiOIn order to study the stepwise structural changes synchrotron radiation was used to collect X-ray diffraction data at 100 K, 295 K and 530 K on the 4-circle diffractometer at HASYLAB using a wavelength of 0.560(1) Å. A total of 2292 reflections were recorded at 100 K, 1540 at 295 K and 1442 at 530 K and reduced to 705 (100 K), 707 (295 K) and 358 (530 K) unique observations respectively (sin


2006 ◽  
Vol 62 (2) ◽  
pp. 287-295 ◽  
Author(s):  
Sarah A. Barnett ◽  
Charlotte K. Broder ◽  
Kenneth Shankland ◽  
William I. F. David ◽  
Richard M. Ibberson ◽  
...  

The polymorphic phase transition of 1,2,4,5-tetrachlorobenzene (TCB) has been investigated using neutron powder diffraction and single-crystal X-ray diffraction. The diffraction experiments show a reversible phase change that occurs as a function of temperature with no apparent loss of sample quality on transition between the two phases. Neutron powder diffraction gives detailed information on the molecular structural changes and lattice parameters from 2 K to room temperature. The structure of the low-temperature form has been elucidated for the first time using single-crystal X-ray diffraction. Comparison of the α and β structures show that they are both based on the same sheet motif, with the differences between the two being very subtle, except in terms of crystal symmetry. Detailed analysis of the structures revealed the changes required for inter-conversion. A computational polymorph search showed that these two sheet structures are more thermodynamically stable than alternative herringbone-type structures.


2019 ◽  
Vol 74 (1) ◽  
pp. 9-14
Author(s):  
Matthias Weil

AbstractThe crystal structure of struvite-type KMgAsO4(H2O)6 has been redetermined from single crystal X-ray diffraction data at room temperature. The previous structure model based on powder X-ray diffraction data was confirmed with higher precision and accuracy and with all hydrogen atoms located. KMgAsO4(H2O)6 undergoes a reversible phase transition of the continuous type at 263(2) K, changing the symmetry from orthorhombic to monoclinic. The corresponding Pnm21→P1121 symmetry reduction is of a translationengleiche type with index 2 and was monitored by temperature-dependent powder X-ray diffraction measurements. Such a phase transition is unprecedented for struvite-type compounds. The crystal structure of the monoclinic polymorph was determined from a two-domain crystal at 100 K. Except for the motion of one of the water molecules towards stronger hydrogen-bonding interactions, structural changes between the two polymorphs are small.


1996 ◽  
Vol 180 (1) ◽  
pp. 71-82
Author(s):  
Lesley Taylor ◽  
Robert M. Richardson ◽  
Jasson Ebbutt ◽  
J. Cliff Jones ◽  
Simon D. Haslam

2003 ◽  
Vol 784 ◽  
Author(s):  
V. M. Naik ◽  
M. Smith ◽  
H. Dai ◽  
P. Talagala ◽  
R. Naik ◽  
...  

ABSTRACTPb1-x Srx TiO3 (x = 0 to 1.0) films of thickness ∼ 4 μ m have been prepared on sapphire and Pt substrates by metalorganic decomposition (MOD) method. X-ray diffraction results show that the films are polycrystalline with a perovskite tetragonal phase at room temperature for x < 0.5 and a cubic phase for x > 0.5. Room temperature Raman spectra show a systematic variation of lattice vibrational modes with x. The most notable changes in the Raman spectra with x are the decrease in the splitting of A1(3TO) and E(3TO) modes and the disappearance of E(3TO) mode at x ∼ 0.6. Although the x-ray diffraction peaks for films with x > 0.5 show a cubic phase at room temperature, the Raman spectra show the characteristic phonon modes of a tetragonal phase even at x = 0.7. The dielectric permittivity versus temperature measurements for films with x ≤ 0.7 show a broad dielectric anomaly corresponding to a diffuse ferroelectric to paraelectric phase transition. The phase transition temperature (Tc) values are consistently lower than the corresponding bulk ceramic alloys. Furthermore, Tc are also determined by monitoring the temperature dependence of the splitting between E(3TO) and A1(3TO) phonon modes in the Raman spectra of Pb1-x Srx TiO3 films for x ≤ 0.6. There has been good agreement between the two methods.


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