Electron diffraction in structural chemistry

An overview of the development of electron diffraction and an introduction to the special issue Advances in Electron Diffraction for Structural Determination.

Standards for MicroED

With an increasing number of refined MicroED structures available to the community, lessons can be learned of their profiles and quality, as well as of best practices.

Structure of L-arginine and detection of trace DL-arginine by 3D ED

The single-crystal structures of L-arginine and a trace impurity of racemic DL-arginine present in commercially sourced arginine have been determined using 3D ED. The single-crystal structure for L-arginine was previously unavailable.

Synthesis and structural characterization of ruthenium(II) hydrido carbonyl tri­phenyl­phosphine α-di­imine com­plexes with derivatives of 2,2′-bi­pyri­dine

The present study deals with the synthesis and properties of two Ru^II polypyridyl com­plexes containing 2,2′-bi­pyri­dine derivatives and one PF₆⁻ counter-ion. The investigation employs a combination of spectroscopic, X-ray diffraction and DFT com­putational methods to characterize the com­plexes.

A threefold inter­penetrated three-dimensional cobalt(II) coordination polymer with highly sensitive sensing for nitro­furazone in aqueous medium

A cobalt(II) com­pound, synthesized by reaction of Co(NO₃)₂·6H₂O with 5-nitro­benzene-1,3-di­carb­oxy­lic acid and 4,4′-bis­(2-methyl-1H-imidazol-1-yl)-1,1′-biphenyl in a mixture of H₂O and di­methyl­formamide (DMF), exhibits a new three-dimensional threefold inter­penetrated framework, which can be simplified to a dmp net. The title com­pound displays a highly selective and sensitive sensing for nitro­furazone (NFZ) in aqueous solution. In addition, the possible fluorescence quenching mechanisms toward NFZ are further investigated.

Investigation of the third-order nonlinear optical properties of a cobalt(II) com­plex constructed from 4,4′-oxydi­benzoic acid and 4,4′-(1H-pyrazole-3,5-di­yl)di­pyridine

The title com­pound is a mononuclear cobalt(II) com­plex that demonstrates significant third-order nonlinear optical negative refraction properties.

Structural insights into 3-[5-(chloro­benzyl­idene)rhodanine]propionic acid isomers with anti­bacterial activity

Crystal structure determination and quantum chemical calculations have given a deeper insight into the structural features of 3-[5-(chloro­benzyl­idene)rhodanine]propionic acid derivatives, showing that the Z isomers are significantly more stable than the corresponding E isomers.

Crystal growth of an unusual salt derived from methane­sulfonic acid: Rb(CH₃SO₃)(CH₃SO₃H)

Large crystals have been grown of a new acidic salt, Rb(CH₃SO₃)(CH₃SO₃H), and have been investigated by single-crystal diffraction. The structure and optical properties are discussed.