Concept

Polymorphisme (chimie)

Publications associées (182)

Crystal field, ligand field, and interorbital effects in two-dimensional transition metal dichalcogenides across the periodic table

Two-dimensional (2D) transition metal dichalcogenides (TMDs) exist in two polymorphs, referred to as 1T and 1H, depending on the coordination sphere of the transition metal atom. The broken octahedral and trigonal prismatic symmetries lead to different cry ...

IOP PUBLISHING LTD2019

New refinement of the crystal structure of Zn(NH3)(2)Cl-2 at 100 K

Arnaud Magrez, Trpimir Ivsic

The crystal structure of [ZnCl2(NH3)(2)], diamminedichloridozinc, was reinvestigated at low temperature, revealing the positions of the hydrogen atoms and thus a deeper insight into the hydrogen-bonding scheme in the crystal packing. In comparison with pre ...

2019

New refinement of the crystal structure of Zn(NH3)2Cl2 at 100 K

Arnaud Magrez, Trpimir Ivsic

The crystal structure of [ZnCl2(NH3)2], diamminedichloridozinc, was re-investigated at low temperature, revealing the positions of the hydrogen atoms and thus a deeper insight into the hydrogen-bonding scheme in the crystal packing. In comparison with pr ...

2019

Rapid Structure Determination of Molecular Solids Using Chemical Shifts Directed by Unambiguous Prior Constraints

David Lyndon Emsley, Arthur César Pinon, Albert Hofstetter, Federico Maria Paruzzo, Martins Balodis

NMR-based crystallography approaches involving the combination of crystal structure prediction methods, ab initio calculated chemical shifts and solid-state NMR experiments are powerful methods for crystal structure determination of microcrystalline powder ...

2019

High-resolution interference microscopy of binary phase diffractive optical elements

Toralf Scharf, Dong Cheon Kim, Michail Symeonidis

In this work, we apply the high-resolution interference microscopy technique to investigate the intensity and phase of light transmitted through a binary phase element. Using a combination of simulation and experimental results, we identify specific featur ...

OPTICAL SOC AMER2019

Predicting polymorphism in molecular crystals using orientational entropy

Pablo Miguel Piaggi, Michele Parrinello

We introduce a computational method to discover polymorphs in molecular crystals at finite temperature. The method is based on reproducing the crystallization process starting from the liquid and letting the system discover the relevant polymorphs. This id ...

2018

Synthesis and characterization of fluorinated anatase nanoparticles and subsequent N-doping for efficient visible light activated photocatalysis

Paul Bowen, Sami Rtimi

Fluorinated-titanium dioxide (TiO2-F) nanoparticles in a pure anatase polymorph was precipitated from solution by hydrolysis of titanium oxychloride, using urea and ammonia as precipitation agents and potassium fluoride as a source of fluorine anion. A fur ...

2018

DNA-BSA interaction, cytotoxicity and molecular docking of mononuclear zinc complexes with reductively cleaved N2S2 Schiff base ligands

Kurt Schenk, Farzaneh Fadaei Tirani

The synthesis of three potentially tetradentate, N2S2 Schiff-base-ligands, containing a disulfide bond, (LSSLThio)-S-Thio(L1), (LSSLBr)-S-Br(L2) and (LSSLDiMeO)-S-DiMeO (L3) are reported. These ligands undergo reductive disulfide bond scission upon reactio ...

ELSEVIER SCIENCE SA2018

Zinc blende-wurtzite polytypism in nanocrystalline ZnO films

Christophe Ballif, Cécile Hébert, Aïcha Hessler-Wyser, Duncan Thomas Lindsay Alexander, Sylvain Nicolay, Lorenzo Fanni, Arthur Brian Aebersold

ZnO is commonly observed and assumed to crystallize fully in a wurtzite structure. Indeed, While polytypism between a wurtzite and a zinc blende phase is often seen in some II-VI compounds, it has only rarely been observed in ZnO. Here, by means of automat ...

Elsevier2017

Gyrl-like proteins catalyze cyclopropanoid hydrolysis to confer cellular protection

Shuguang Yuan, Wei Huang, Yue Yin

Gyrl-like proteins are widely distributed in prokaryotes and eukaryotes, and recognized as small-molecule binding proteins. Here, we identify a subfamily of these proteins as cyclo-propanoid cyclopropyl hydrolases (CCHs) that can catalyze the hydrolysis of ...

Nature Publishing Group2017

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