Multistep Crystallization Pathways in the Ambient‐Temperature Synthesis of a New Alkali‐Activated Binder

2021

Structural investigation of four-centre photopolymerisation of bis-phthalamic bis-chalcone derivative in the crystalline state

1997

By combining the results obtained from an electron diffraction tilting series with solid state NMR and powder X-ray diffraction, it was possible to determine the unit cell parameters and space group of BPABC crystals grown from DMAA solution both before and after irradiation. Subsequently semi-empirical quantum mechanical and packing energy calculations led to a model structure which agreed well with all the electron diffraction data and thus provided insight into the cross-linking mechanism. © 1997 John Wiley & Sons Ltd.

Electron crystallography and organic materials with non-linear optical properties

1999

Results of electron microscopic studies of crystal structures of a number of bis-benzylidene cyclohexanones are presented. It is shown that some of these compounds are efficient crystalline non-linear optically active (NLO) chromophores with second harmonic generation (SHG) properties. Appropriately functionalized chromophores of this type can be used as a polycondensation comonomer to produce partly crystalline main-chain NLO-active polymers. Electron diffraction crystal structural data, obtained for very small crystals, allowed us to get reasonable estimations of macroscopic crystal NLO-coefficients, relating quantum-chemically calculated molecular first hyperpolarizability components to …

Corrosion of Heritage Objects: Collagen‐Like Triple Helix Found in the Calcium Acetate Hemihydrate Crystal Structure

2020

Abstract Helical motifs are common in nature, for example, the DNA double or the collagen triple helix. In the latter proteins, the helical motif originates from glycine, the smallest amino acid, whose molecular confirmation is closely related to acetic acid. The combination of acetic acid with calcium and water, which are also omnipresent in nature, materializing as calcium acetate hemihydrate, was now revealed to exhibit a collagen‐like triple helix structure. This calcium salt is observed as efflorescence phase on calcareous heritage objects, like historic Mollusca shells, pottery or marble reliefs. In a model experiment pure calcium acetate hemihydrate was crystallized on the surface of…

A hydrated crystalline calcium carbonate phase: Calcium carbonate hemihydrate.

2019

Hydrous CaCO 3 gets a new structure Calcium carbonate (CaCO 3 ) forms important minerals on Earth and is a model system for understanding crystal nucleation. Three different structures of CaCO 3 are known, along with two structures that are hydrated. Zou et al. found a third hydrated CaCO 3 structure formed from amorphous CaCO 3 in the presence of magnesium ions. The discovery illustrates the importance of amorphous precursors for producing new materials. Science , this issue p. 396

ChemInform Abstract: Electron Crystallography and Organic Materials with Non-Linear Optical Properties

2010

Results of electron microscopic studies of crystal structures of a number of bis-benzylidene cyclohexanones are presented. It is shown that some of these compounds are efficient crystalline non-linear optically active (NLO) chromophores with second harmonic generation (SHG) properties. Appropriately functionalized chromophores of this type can be used as a polycondensation comonomer to produce partly crystalline main-chain NLO-active polymers. Electron diffraction crystal structural data, obtained for very small crystals, allowed us to get reasonable estimations of macroscopic crystal NLO-coefficients, relating quantum-chemically calculated molecular first hyperpolarizability components to …

H-bonding schemes of di- and tri-p-benzamides assessed by a combination of electron diffraction, X-ray powder diffraction and solid-state NMR

2010

The crystal structures of di- and tri-p-benzamides are solved by a combination of single crystal, electron and powder X-ray diffraction. Different hydrogen-bonding schemes observed in the two structures are described and classified. The hydrogen-bonding networks are correlated to complementary data obtained from multinuclear solid-state NMR.

Advances in automated diffraction tomography

2009

Crystal structure solution by means of electron diffraction or investigation of special structural features needs high quality data acquisition followed by data processing which delivers cell parameters, space group and in the end a 3D data set. The final step is the structure analysis itself including structure solution and subsequent refinement.

Electrochemical Reduction and Oxidation of Ruddlesden–Popper-Type La2NiO3F2 within Fluoride-Ion Batteries

2021

Within this article, it is shown that an electrochemical defluorination and additional fluorination of Ruddlesden–Popper-type La2NiO3F2 is possible within all-solid-state fluoride-ion batteries. St...

Structural anisotropy and annealing-induced nanoscale atomic rearrangements in metamict titanite

2012

The structural state of metamict titanite was studied by Raman spectroscopy, complementary high-resolution transmission electron microscopy, and single-crystal X-ray diffraction. The results show that Raman scattering collected from metamict titanite is highly anisotropic, which is typical of single crystals. But surprisingly, the observed Raman-scattering dependence on the sample orientation is much more pronounced for heavily metamict than for weakly metamict titanite samples. These radiation-induced anisotropic effects are related to the specific atomic arrangements in metamict titanite. The Raman spectra collected in backscattering geometry from a plane nearly perpendicular to the chain…

Korrosion von Kulturgut: Entdeckung einer kollagenartigen Tripelhelix in der Kristallstruktur von Calciumacetat‐Hemihydrat

2020

CCDC 1958904: Experimental Crystal Structure Determination

2020

Related Article: Sebastian Bette, Jörg Stelzner, Gerhard Eggert, Thomas Schleid, Galina Matveeva, Ute Kolb, Robert E. Dinnebier|2020|Angew.Chem.,Int.Ed.|59|9438|doi:10.1002/anie.202001609