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Dielectric and Raman investigations of structural phase transitions in (C2H5NH3)2CdCl4

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TLDR
Temperature-dependent Raman and dielectric measurements have been carried out on (C2H5NH3)2CdCl4 single crystals and indicate that the transition at 216 K is order-disorder in nature and is driven by re-orientation of organic ions, while the Transition at 114 K is due to coupling between the CdCl6 octahedron and the organic chain.
Abstract
Temperature-dependent Raman and dielectric measurements have been carried out on (C2H5NH3)2CdCl4 single crystals. Raman studies reveal the presence of two structural phase transitions below room temperature at 216 K and 114 K. The phase transitions are marked by anomalies in temperature dependence of wave-number and full width half maximum (FWHM) of several vibrational modes. The transitions are also accompanied by anomalies in dielectric measurements. Raman and dielectric data indicate that the transition at 216 K is order–disorder in nature and is driven by re-orientation of organic ions, while the transition at 114 K is due to coupling between the CdCl6 octahedron and the organic chain. Further high temperature dielectric measurements reveal the presence of one more structural phase transition around 473 K across which dispersion in dielectric parameters is observed. The activation energies and relaxation time obtained for high temperature dielectric phases are characteristic of combined reorientation motions of alkyl ammonium cations.

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Electron‐State Confinement of Polysulfides for Highly Stable Sodium–Sulfur Batteries

TL;DR: The resultant room-temperature sodium-sulfur batteries are amongst the most stable reported so far, thus demonstrating that the new mechanism opens a promising avenue for the development of high-performance metal-solfur batteries.
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Structural, optical properties and characterization of (C2H5NH3)2CdCl4, (C2H5NH3)2CuCl4 and (C2H5NH3)2Cd0.5Cu0.5Cl4 compounds

TL;DR: In this paper, the synthesis of hybrid perovskite crystals (C 2 H 5 NH 3 ) 2 CdCl 4, C 2 H 6 NH 3, 2.5 Cu 0.5 Cl 4, and C 2H 5 NH3 ) 2 CuCl 4 ) using the conventional method was studied.
Journal ArticleDOI

Effect of Temperature and Pressure on Structural and Optical Properties of Organic-Inorganic Hybrid Manganese Halides.

TL;DR: In this article , the detailed properties of (C10H16N)2MnBr4, which emits bright green light with a high photoluminescence quantum yield, were reported.
References
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Journal ArticleDOI

Density‐functional thermochemistry. III. The role of exact exchange

TL;DR: In this article, a semi-empirical exchange correlation functional with local spin density, gradient, and exact exchange terms was proposed. But this functional performed significantly better than previous functionals with gradient corrections only, and fits experimental atomization energies with an impressively small average absolute deviation of 2.4 kcal/mol.
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Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

TL;DR: Numerical calculations on a number of atoms, positive ions, and molecules, of both open- and closed-shell type, show that density-functional formulas for the correlation energy and correlation potential give correlation energies within a few percent.
Journal ArticleDOI

Ab initio effective core potentials for molecular calculations. Potentials for the transition metal atoms Sc to Hg

TL;DR: In this article, the Coulomb, exchange, and core-orthogonality effects of the chemically inert core electron in the transition metal atoms Sc to Hg have been replaced by the ab initio effective core potentials (ECP).
Journal ArticleDOI

Functional porous coordination polymers.

TL;DR: The aim is to present the state of the art chemistry and physics of and in the micropores of porous coordination polymers, and the next generation of porous functions based on dynamic crystal transformations caused by guest molecules or physical stimuli.
Journal ArticleDOI

Magnetic metal-organic frameworks.

TL;DR: The diversity of magnetic exchange interactions between nearest-neighbour moment carriers is examined, covering from dimers to oligomers and their implications in infinite chains, layers and networks, having a variety of topologies.
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