Search results for "Stability"

On structural phase transitions inn-butylammonium chloroantimonate(III) and chlorobismuthate(III) crystals: x-ray, differential scanning calorimetry,…

1997

Numerous structural phase transitions are detected in new crystals of the n-butylammonium compounds: , and by means of differential scanning calorimetry, dilatometric and dielectric dispersion (1 kHz - 1 MHz) studies. For the transitions the basic thermodynamic data are determined. Interesting dielectric properties are found in a metastable form of the crystals. Debye-like dispersion of the electric permittivity between 30 and 800 MHz is observed around the 310 K phase transition for this crystal. The activation energy of the reorientation of the n-butylammonium cations is found to be 16 kJ . The structure of ( form) has been refined to R = 0.0439 and shows isolated units and two non-equiva…

Heterogeneous and homogeneous crystal nucleation in a colloidal model system of charged spheres at low metastabilities

2011

We have studied the nucleation kinetics in the bulk as well as at the container walls of a charged sphere colloidal model system under salt-free conditions close to the fluid–crystal phase boundary. We determined time resolved nucleation rate densities for heterogeneous nucleation on the wall, the corresponding nucleation rate densities for homogeneous nucleation and compare the resulting nucleation barrier heights. The homogeneous barrier height decreases exponentially with increasing metastability, while the heterogeneous barrier displays a sharp transition from a constant value close to the phase boundary to zero at higher metastability. As a consequence the microstructure evolution is d…

Observation of instability of faceted crystals in lipid monolayers

1998

Abstract The morphological instabilities of two-dimensional hexagonal crystals in lipid monolayers are studied. Fluorescence microscopy indicates that beyond a critical size the faceted crystal develops into dendrites with unusual tip growth behavior, which is not consistent with the current theory of dendritic growth. The morphological transitions in relation to the driving force for two-dimensional crystal growth are also studied.

Thermal stability and crystallization kinetics of Al4Mn quasicrystals as studied by exoelectron emission and DTA methods

1995

Three anhydrous forms and a dihydrate form of quifenadine hydrochloride: a structural study of the thermodynamic stability and dehydration mechanism

2015

Crystal structures of dihydrate (DH) and three anhydrous forms (A, B and C) of quifenadine (1-azabicyclo[2.2.2]oct-8-yl-diphenyl-methanol) hydrochloride are presented, and crystal structure information is used to explain and rationalize the relative stability of polymorphs and observed phase transformations. The dehydration mechanism of the hydrate is provided by interpreting the results obtained in studies of crystal structures, dehydration kinetics and thermal analysis. Structural analysis is used to explain the observed relative stability of the anhydrous phases and the hydrate. The crystal structures have been determined either from single crystal (form DH) or from powder diffraction da…

Phase competition in (La1 − c,Src)CoO3solid solutions:ab initiothermodynamic study

2013

Statistical thermodynamics and density functional theory (DFT) formalisms are combined to analyze the phase competition of energetically preferable phases in (La1 − c,Src)CoO3 solid solutions upon LaCoO3 doping with Sr. La/Sr sublattice in ABO3 perovskite structure is considered as immersed in the field of CoO3 units and the superstructures that are stable with respect to the formation of antiphase domains are analyzed. The concentration-dependent energy parameters determining the relative stability of the cubic superstructures (phases) are extracted. This allows us calculations of concentration- and temperature dependences of the long-range order (LRO) parameters for different phases. The …

Conformational equilibrium and intramolecular hydrogen bond of 4′X and 4X substituted 2′(OH)chalcones

1999

Abstract By using the AM1 method on 4X and 4′X substituted 2′(OH)chalcones (X=H, OH, F, Cl, CH 3 , CH 3 O, N(CH 3 ) 2 , and NO 2 ), certain currently unclear structural characteristics, conformational equilibria, intramolecular hydrogen bonds and UV spectroscopic properties had been clarified. The compounds studied have non-planar structures. The 2′(OH),4′Xchalcones only present the trans - s - cis conformation. trans - s - cis and trans - s - trans conformers of 2′(OH),4X-chalcones have a comparable thermodynamic stability. For these chalcones, a conformational equilibrium at 298 K exists, with 91% of the trans - s - cis form. The proposal of analyzing the intramolecular hydrogen bond of 2…

Microscopic investigations of homogeneous nucleation in charged sphere suspensions.

2005

We studied the homogeneous nucleation kinetics of an aqueous suspension of charged colloidal spheres under de-ionized conditions. Samples of equilibrium crystalline structure were shear molten and the metastable melt left to solidify after cessation of shear. At low particle number densities n, corresponding to low metastability of the melt, nucleation was monitored directly via video microscopy. We determined the nucleation rates gamma(t) by counting the number of newly appearing crystals in the observation volume per unit time. Using a suitable discrete adaptation of Avrami's [J. Chem. Phys. 7, 1003 (1939); ibid.8, 212 (1940); ibid.9, 177 (1941)] model for solidification via homogeneous n…

Selective Photoswitching of the Binuclear Spin Crossover Compound{[Fe(bt)(NCS)2]2(bpm)}into Two Distinct Macroscopic Phases

2005

The low-spin (LS-LS, $S=0$) diamagnetic form of the binuclear spin crossover complex ${[\mathrm{Fe}(\mathrm{bt})(\mathrm{NCS}{)}_{2}{]}_{2}(\mathrm{bpm})}$ was selectively photoconverted into two distinct macroscopic phases at different excitation wavelengths (1342 or 647.1 nm). These long-lived metastable phases have been identified, respectively, as the symmetry-broken paramagnetic form (HS-LS, $\mathrm{S}=2$) and the antiferromagnetically coupled (HS-HS, $S=0$) high-spin form of the compound. The selectivity may be explained by the strong coupling of the primary excited states to the paramagnetic state.

X-ray structure study of the light-induced metastable states of the spin-crossover compound [Fe(mtz)6](BF4)2

2001

Iron(II) complexes exhibiting thermal spin-crossover may be converted from the1A1low-spin (LS) state to the5T2high-spin (HS) state by irradiation with green light (light-induced excited spin-state trapping, LIESST) and from the LS to the HS state by irradiation with red light (reverse LIESST). The lifetime of the metastable LIESST states may be sufficiently long to enable an X-ray diffraction study. The lattice parameters of a single crystal of [Fe(mtz)6](BF4)2(mtz = methyltetrazole) (space groupP21/n) were measured between 300 and 10 K. While one Fe lattice site (A) of the crystal changes from the HS to the LS state near 78 K, the other site (B) remains in the LS state. Using the green lig…