Tuning the structure of lychee-like LaFeO3 for adjusting infrared stealth properties.

Syntheses, crystal structures and optoelectronic properties of three novel IIB 2-methyl-3-hydroxyquinoline-4-carboxylic acid complexes

Synthesis, crystal structure and thermal properties of azole-based energetic materials

Crystal structure, Hirshfeld surface analysis and third-order nonlinear optical properties of supramolecular complexes of 18-crown-6 with 4-hydroxy-1-methylpyridin-1-ium and 3-carbamoyl-1-methylpyridin-1-ium iodide

The NMR interaction tensors of 9Be and 11B of hambergite, Be BO OH, were derived from single-crystal NMR experiments. In the orthorhombic crystal structure of hambergite (which we redetermined by single-crystal XRD, confirming the results of previous studies), both beryllium and boron atoms occupy Wyckoff position , with atoms pairwise related by inversion symmetry. This leads to four magnetically independent 9Be and 11B atoms per site, which are observable in the NMR spectra. Unequivocal assignment of these resonances to atomic positions in the unit cell is generally impossible, as an analysis of the symmetry relations shows. For the hambergite system, this assignment ambiguity could be resolved with the help of DFT calculations using the VASP code, with the resulting eigenvectors compared with the experimental ones. Examination of 9Be-1H dipolar coupling effects, which could be detected in some of the 9Be spectra, in combination with XRD experiments to confirm the goniometer axis orientation, provided further spatial information and confirmed the assignment. The thus determined numerical values for the quadrupolar coupling constants and isotropic chemical shifts are as follows: for 9Be[1] kHz and 1.6 ppm, for 9Be[2] kHz and 1.4 ppm and for 11B[1] MHz and 18.1 ppm.

The X-ray crystal structure of methyl 2-deoxy-3,5-di-O-p-toluoyl-α-d-ribofuranoside (5) presented here, is a unique example of an alpha-configured, methyl 2-deoxyribofuranoside with the same protecting group at positions C3 and C5. Methyl 2-deoxy-3,5-di-O-p-toluoyl-α/β-d-ribofuranoside (3), exists as a mixture of alpha and beta anomers from which we isolated a single anomer on recrystallization from acetone. TLC analysis indicated the presence of a single compound with NMR analysis in support of the alpha anomer. SC-XRD analysis showed that methyl glycoside (5) crystallizes from acetone as the alpha anomer in the monoclinic space group I2. Methyl glycoside (5) possesses a glycosidic bond length of 1.408Å with pseudorotational analysis showing the conformation of the five-membered ring to be 0E (O4-endo) with P=89.9° and φm=64.4°.

Discovery, crystal structure, anticancer property of the first-row transition metal complexes of norcantharidin (NCTD) as potential inducer of mitochondrial damage.

Copper(II) complexes derived from 3,5-dibromosalicylaldehyde semicarbazone: Crystal structures, spectra and in vitro cytotoxicity studies

Recycling plastic wastes to fabricate CNTs decoration on Fe-ZrO2 for the efficient electrocatalytic performance.

Crystal structure, synthesis, problems, and solutions for Prussian blue analogue cathodes for high-energy and low-cost sodium-ion batteries based on recent research

Copper(II) complexes with naphthalene-functionalized N-salicylidene aniline schiff bases: Synthesis, crystal structures, photophysical properties and theoretical calculations

Comment on "synthesis and in situ sulfidation of molybdenum carbide MXene using fluorine-free etchant for electrocatalytic hydrogen evolution reactions".

Reinvestigation of Na2SO4⋅H3NSO3⋅2H2O, a member of the sulfate – sulfamic acid co-crystal family: crystal structure, topological features, thermal and luminescent properties

New ‘chiral-at-metal’ half-sandwich ruthenium(II) complexes of chiral β-benzylselenated amines: Synthesis, crystal structures and hirshfeld surface analysis

Crystal structure, magnetic properties and cryogenic magnetocaloric performances in Er2Ge2O7 and Ho2Ge2O7 oxides

Experimental results of growth of (Cr, Co, Fe)-co-doped ZnSe crystals, for laser applications in the range 2-5 µm, by the vertical Bridgman method under high argon pressure are described for the first time. A comparative study involving crystallographic analysis, X-ray diffraction, scanning electron microscopy, infrared spectroscopy, and other physical characterization techniques is carried out for co-doped (Cr, Co, Fe):ZnSe crystals. Growth features, morphology and optical properties of the crystals are studied and correlated with their crystal structure. The feasibility of producing large, homogeneous optical crystals with a controlled and uniform distribution of multiple activators throughout the crystal volume is also demonstrated.

Synthesis and crystal structure of novel spirooxindole-fused Benzo[h]pyridopyrano[3,2-c]quinoline derivatives

Interplay of crystal structure, defect chemistry, and dielectric relaxation in Fe-doped BaTiO3 solid solutions for advanced capacitor applications

Spectroscopic characterization and effective studies of X-anion type in the H2 storage of [HgX2(Mnz)2] and [HgSO4(Mnz)2]; Crystal structure of [HgCl2(Mnz)2

Crystal Structure of PH0140: Exogenous Amino Acids Induce Open Octameric Assembly Enables PromoterTTTT Binding for Transcription Regulation.