Distortion of a Unit Cell versus Phase Transition to Nonbulk Morphology in Frustrated Films of Cylinder-Forming Polystyrene-b-polybutadiene Diblock Copolymers

2012 ◽  
Vol 45 (19) ◽  
pp. 7985-7994 ◽  
Author(s):  
Larisa Tsarkova
Keyword(s):  
Phase Transition ◽  
Diblock Copolymers ◽  
Unit Cell ◽  
Versus Phase ◽  
Cell Versus

NQR and Crystal Structure of 4,5-Dichloroimidazole, C3H2N2Cl2

1992 ◽  
Vol 47 (1-2) ◽  
pp. 177-181 ◽  
Author(s):  
Shi-Qi Dou ◽  
Alarich Weiss
Keyword(s):  
Crystal Structure ◽  
Phase Transition ◽  
Temperature Dependence ◽  
Room Temperature ◽  
Unit Cell ◽  
Space Group ◽  
Temperature Range ◽  
Temperature Coefficients ◽  
Group D

AbstractThe two line 35Cl NQR spectrum of 4,5-dichloroimidazole was measured in the temperature range 77≦ T/K ≦ 389. The temperature dependence of the NQR frequencies conforms with the Bayer model and no phase transition is indicated in the curves v ( 35Cl)= f(T). Also the temperature coefficients of the 35Cl NQR frequencies are "normal". At 77 K the 35Cl NQR frequencies are 37.409 MHz and 36.172 MHz and at 389 K 35.758 MHz and 34.565 MHz. The compound crystallizes at room temperature with the tetragonal space group D44-P41212, Z = 8 molecules per unit cell; at 295 K : a = 684.2(5) pm, c = 2414.0(20) pm. The relations between the crystal structure and the NQR spectrum are discussed.

NQR, NMR, and X-ray crystal structure studies of [4-C2H5-C6H4NH3]2MBr4 (M=Zn, Cd)

2018 ◽  
Vol 73 (9) ◽  
pp. 611-616
Author(s):  
Hideta Ishihara ◽  
Hisashi Honda ◽  
Ingrid Svoboda ◽  
Hartmut Fuess
Keyword(s):  
Crystal Structure ◽  
Phase Transition ◽  
Temperature Dependence ◽  
Benzene Ring ◽  
Structural Phase Transition ◽  
Structural Phase ◽  
Unit Cell ◽  
Organic Layers ◽  
Nuclear Magnetic Resonance Spectra ◽  
Quadrupole Resonance

AbstractThe crystal structure of [4-C2H5-C6H4NH3]2ZnBr4 (1) has been determined at 150(2) K: triclinic, P1̅, a=724.82(2), b=1194.20(4), c=1322.26(4) pm, α=74.151(3), β=80.887(3), γ=80.434(3)°, and Z=2. There are two crystallographically independent cations in the unit cell of 1: one has its benzene ring perpendicular to the crystallographic a axis of the unit cell and the other one has its benzene ring perpendicular to the c axis. These cations are alternatingly located along the c axis and form organic layers, and the ZnBr4 anions form inorganic layers in between. Zn–Br···H–N hydrogen bonds are formed between cations and anions. In accordance with the crystal structure, four nuclear quadrupole resonance (NQR) lines of 81Br were observed. The temperature dependence of the 81Br NQR frequencies between 77 and 320 K shows a peculiar feature which is not due to a structural phase transition. The measurement of 13C nuclear magnetic resonance spectra at around T=340 K indicates a redistribution of cations. The temperature dependence of 81Br NQR frequencies and differential thermal analysis measurements show that [4-C2H5-C6H4NH3]2CdBr4 (2) undergoes a structural phase transition at around 190 K.

Monoclinic-to-orthorhombic phase transition in Cu2(AsO4)(OH) olivenite at high temperature: strain and mode decomposition analyses

2018 ◽  
Vol 82 (2) ◽  
pp. 347-365 ◽  
Author(s):  
Serena C. Tarantino ◽  
Michele Zema ◽  
Athos M. Callegari ◽  
Massimo Boiocchi ◽  
Michael A. Carpenter
Keyword(s):  
Phase Transition ◽  
High Temperature ◽  
Single Crystal ◽  
Volume Expansion ◽  
Monoclinic Phase ◽  
Orthorhombic Phase ◽  
Unit Cell ◽  
The Other ◽  
Unit Cell Parameters ◽  
Cell Parameters

ABSTRACTA natural olivenite single crystal was submitted to in situ high-temperature single-crystal X-ray diffraction from room temperature (RT) to 500°C. Unit-cell parameters were measured at regular intervals of 25°C, and complete datasets collected at T = 25, 50, 100, 150, 200, 250, 300, 400 and 500°C. Evolution of unit-cell parameters and structure refinements indicates that olivenite undergoes a structural phase transition from P21/n to Pnnm at ~200°C, and eventually becomes isostructural with the other members of the olivenite-mineral group. Volume expansion with temperature is larger in the monoclinic phase – where it follows a non-linear trend – than in the orthorhombic one. Axial and volume expansion coefficients of the orthorhombic olivenite phase are positive and linear and similar to those of the other Cu-bearing member of the mineral family, namely libethenite, but rather different from those of the Zn-analogue arsenate adamite.Distortion of Cu polyhedra is quite high in the olivenite monoclinic phase at RT and goes towards a relative regularization with increasing T until the phase transition occurs. In the orthorhombic phase, no significant variation of the polyhedral distortion parameters is observed with increasing temperature, and maximum expansion is along the b direction and governed by corner-sharing. Landau potential provides a good representation of the macroscopic changes associated with the phase transition, coupling between the strains and the order parameter is responsible for the nearly tricritical character of the transition.

Construction of Rod-Forming Single Network Mesophases in Rod–Coil Diblock Copolymers via Inversely Designed Phase Transition Pathways

2018 ◽  
Vol 51 (15) ◽  
pp. 5773-5787 ◽  
Author(s):  
Tongjie Sun ◽  
Faqiang Liu ◽  
Ping Tang ◽  
Feng Qiu ◽  
Yuliang Yang
Keyword(s):  
Phase Transition ◽  
Diblock Copolymers ◽  
Transition Pathways

scholarly journals A High-Pressure Investigation of the Synthetic Analogue of Chalcomenite, CuSeO3∙2H2O

Crystals ◽  
2019 ◽  
Vol 9 (12) ◽  
pp. 643 ◽  
Author(s):  
Javier Gonzalez-Platas ◽  
Placida Rodriguez-Hernandez ◽  
Alfonso Muñoz ◽  
U. R. Rodríguez-Mendoza ◽  
Gwilherm Nénert ◽  
...  
Keyword(s):  
Phase Transition ◽  
Density Functional Theory ◽  
Raman Spectroscopy ◽  
Pressure Dependence ◽  
Density Functional ◽  
Unit Cell ◽  
X Ray Diffraction ◽  
Functional Theory ◽  
X Ray ◽  
Raman Modes

Synthetic chalcomenite-type cupric selenite CuSeO3∙2H2O has been studied at room temperature under compression up to pressures of 8 GPa by means of single-crystal X-ray diffraction, Raman spectroscopy, and density-functional theory. According to X-ray diffraction, the orthorhombic phase undergoes an isostructural phase transition at 4.0(5) GPa with the thermodynamic character being first-order. This conclusion is supported by Raman spectroscopy studies that have detected the phase transition at 4.5(2) GPa and by the first-principles computing simulations. The structure solution at different pressures has provided information on the change with pressure of unit–cell parameters as well as on the bond and polyhedral compressibility. A Birch–Murnaghan equation of state has been fitted to the unit–cell volume data. We found that chalcomenite is highly compressible with a bulk modulus of 42–49 GPa. The possible mechanism driving changes in the crystal structure is discussed, being the behavior of CuSeO3∙2H2O mainly dominated by the large compressibility of the coordination polyhedron of Cu. On top of that, an assignation of Raman modes is proposed based upon density-functional theory and the pressure dependence of Raman modes discussed. Finally, the pressure dependence of phonon frequencies experimentally determined is also reported.

Strain Driven Two-Dimensional Phase Transition in PbSnF4 Superionic Conductor

1994 ◽  
Vol 369 ◽  
Author(s):  
Georges Denes ◽  
M.C. Madamba ◽  
J.M. Parris
Keyword(s):  
Phase Transition ◽  
Structural Change ◽  
Chemical Composition ◽  
Lead Nitrate ◽  
Unit Cell ◽  
Minor Amount ◽  
Two Dimensional ◽  
Detectable Change ◽  
A Minor ◽  
Nonuniform Strain

AbstractWhen a minor amount of HF is added to the SnF2 reacted with lead nitrate in aqueous solutions to prepare PbSnF4, a phase transition from tetragonal α-PbSnF4 to orthorhombíc o-PbSnF4 takes place. The transition is essentially bidimensional and takes place in the (a,b) plane of the unit-cell. The compactness of the structure increases at the transition. No essential structural change occurs: the transition is most likely displacive and it is driven by bidimensional nonuniform strain acting along the aand baxes of the unit-cell. This transition is similar to ferroic transitions (in this case, paraelastic → ferroelastic). No detectable change of chemical composition occurs at the transition, and the reason why the presence of HF in the reaction mixture causes the transition remains unknown.

Order–order phase transition and transformation in co-assembled particles from fluorinated FA/FB type diblock copolymers

Soft Matter ◽  
2012 ◽  
Vol 8 (32) ◽  
pp. 8405 ◽  
Author(s):  
Shan Qin ◽  
Wang Zhang Yuan ◽  
Hong Li ◽  
Yongming Zhang
Keyword(s):  
Phase Transition ◽  
Order Phase Transition ◽  
Diblock Copolymers

Preparation and characterization of MPEG–PCL diblock copolymers with thermo-responsive sol–gel–sol phase transition

2006 ◽  
Vol 44 (18) ◽  
pp. 5413-5423 ◽  
Author(s):  
Moon Suk Kim ◽  
Hoon Hyun ◽  
Kwang Su Seo ◽  
Young Ho Cho ◽  
Jung Won Lee ◽  
...  
Keyword(s):  
Phase Transition ◽  
Diblock Copolymers ◽  
Sol Gel

Two phases of {[CsPH(η6-2,4,6- t Bu3C6H2)]2(η3-toluene)0.5} x : their structures and interconversions

2000 ◽  
Vol 56 (2) ◽  
pp. 210-214
Author(s):  
Thomas E. Concolino ◽  
Kin-Chung Lam ◽  
Ilia A. Guzei ◽  
Arnold L. Rheingold ◽  
Gerd W. Rabe
Keyword(s):  
Phase Transition ◽  
Solid State ◽  
Unit Cell Volume ◽  
Structural Features ◽  
Unit Cell ◽  
Unit Cell Parameters ◽  
Cell Parameters ◽  
Disorder Phase Transition ◽  
Two Phases ◽  
A Minor

The solvent-bridged caesium phosphide {[CsPH(η 6-2,4,6- t Bu3C6H2)]2(η 3-toluene)0.5} x , catena-[(μ-η3-toluene)-bis[caesium(2,4,6-tri-tert-butylphenylphosphide)]], undergoes a reversible solid-state, order–disorder phase transition characterized by the doubling of the unit-cell volume at low temperature achieved by doubling one unit-cell vector. The unit-cell parameters at 293 (2) K (form A) are: a = 11.147 (4), b = 14.615 (4), c = 14.806 (5) Å, α = 70.57 (3), β = 71.85 (3), γ = 72.93 (2)°, V = 2112.5 (12) Å3, Z = 2, ρcalc = 1.362 g cm−3, R 1 = 0.0513 for 5462 reflections, wR 2 = 0.0947 for all data. The unit-cell parameters at 173 (2) K (form B) are: a = 14.6241 (3), b = 14.7393 (3), c = 22.0720 (4) Å, α = 72.2117 (7), β = 73.3659 (8), γ = 70.2953 (7)°, V = 4174.8 (2) Å3, Z = 4, ρcalc = 1.379 g cm−3, R 1 = 0.0405 for 14 010 reflections, wR 2 = 0.1326 for all data. With a minor change, the key structural features discussed previously for form A [Rabe et al. (1998). Inorg. Chem. 37, 4235–4245] remain unchanged. The η 3-toluene ligand is observed to be disordered at 293 (2) K and ordered at 173 (2) K, with the order–disorder phase transition occurring at approximately 278 (2) K.

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