Concept
Crystallography
Related publications (369)
Beyond the coupled distortion model: structural analysis of the single domain cupredoxin AcoP, a green mononuclear copper centre with original features
Cupredoxins are widely occurring copper-binding proteins with a typical Greek-key beta barrel fold. They are generally described as electron carriers that rely on a T1 copper centre coordinated by four ligands provided by the folded polypeptide. The discov ...
Cambridge2024Mapping orthorhombic domains with geometrical phase analysis in rare-earth nickelate heterostructures
Duncan Thomas Lindsay Alexander, Bernat Mundet, Jean-Marc Triscone
Most perovskite oxides belong to the Pbnm space group, composed of an anisotropic unit cell, A-site antipolar displacements, and oxygen octahedral tilts. Mapping the orientation of the orthorhombic unit cell in epitaxial heterostructures that consist of at ...
Melville2024Experimental and ab initio derivation of interface stress in nanomultilayered coatings: Application to immiscible Cu/W system with variable in-plane stress
Pandula Manura Liyanage, Claudia Cancellieri, Giacomo Lorenzin
Interface stress is a fundamental descriptor for interphase boundaries and is defined in strict relation to the interface energy. In nanomultilayers with their intrinsically high interface density, the functional properties are dictated by the interface st ...
Elsevier2024Molecular imine cages with π-basic Au3(pyrazolate) faces
Rosario Scopelliti, Kay Severin, Farzaneh Fadaei Tirani, Noga Eren
One tetrahedral and two trigonal prismatic cages with π-basic Au3(pyrazolate)3 faces were obtained by connection of pre-formed gold complexes via dynamic covalent imine chemistry. The parallel arrangement of the Au3(pyrazolate)3 complexes in the prismatic ...
2024Quasi-operando Transmission Electron Microscopy Diagnostics for Electrocatalytic Processes in Liquids
It is of great interest to the energy community to understand how the mechano-physico-chemical phenomena that eventually lead to device degradation are related to the startup, operation, and shutdown phases. For electrocatalytic systems operating in liquid ...
Swiss Chemical Soc2024Dual Photoredox and Copper Catalysis: Enantioselective 1,2-Amidocyanation of 1,3-Dienes
Qian Wang, Jieping Zhu, Dan Forster, Weisi Guo
Dual photoredox−transition-metal catalysis has emerged as a powerful tool for the development of chemical transformations. However, its application in the selective difunctionalization of 1,3-dienes remains essentially unexploited. By the synergistic actio ...
2023Diverting the 5-exo-Trig Oxypalladation to Formally 6-endo-Trig Fluorocycloetherification Product through 1,2-O/Pd(IV) Dyotropic Rearrangement
Qian Wang, Jieping Zhu, Jing Gong
Pd-catalyzed cyclizative functionalization of γ-hydroxyalkenes affords tetrahydrofuran derivatives via a key 5-exo-trig oxypalladation step. Herein, we report a palladium(II)-catalyzed, Selectfluor-mediated formal 6-endo-trig fluorocycloetherification of γ ...
2023Synthesis, isolation and application of a sila-ketenyl anion
Rosario Scopelliti, Shiori Fujimori
Ynolates or ketenyl anions, [RCCO]-, are negatively charged reactive intermediates, which can be generated in situ and used for divergent chemical transformations. Ynolates can react either at the oxygen or carbon centres or across the C-C triple bond, mak ...
London2023Atomic-level structure determination of amorphous molecular solids by NMR
David Lyndon Emsley, Arthur César Pinon, Pinelopi Moutzouri, Manuel Cordova
Structure determination of amorphous materials remains challenging, owing to the disorder inherent to these materials. Nuclear magnetic resonance (NMR) powder crystallography is a powerful method to determine the structure of molecular solids, but disorder ...
Berlin2023NMR Crystallography in the Big Data Era: New Methods and Applications Powered by Machine Learning
Structure determination of materials is key to understanding their physical properties. While single-crystal X-ray diffraction is the gold standard for structures displaying long-range order, many materials of interest are polycrystalline and/or disordered ...
EPFL2023