The preparation and characterization of a series magnesium(II) iodide complexes incorporating beta-diketiminate ligands varying steric bulk denticity, namely, [(ArNCMe)(2)CH](-) (Ar=phenyl, ((Ph)Nacnac), mesityl ((Mes)Nacnac), or 2,6-diisopropylphenyl (Dipp, (Dipp)Nacnac)), [(DippNCtBu)(2)CH](-) ((tBu)Nacnac), [(DippNCMe)(Me(2)NCH(2)CH(2)NCMe)CH](-) ((Dmeda)Nacnac) are reported. [((Ph)Nacnac)MgI(OEt(2))], [((Mes)Nacnac)MgI(OEt(2))], [((Dmeda)Nacnac)MgI(OEt(2))], [((Mes)Nacnac)MgI(thf)],...

Using various macroscopic and microscopic techniques, including magnetometry neutron x-ray diffraction measurements, the authors investigate magnetic properties of quasi-two-dimensional antiferromagnet NiPS${}_{3}$. Contrary to previous find that material orders antiferromagnetically with a propagation vector $\mathbf{k}$=[010]. This clarification structure is hoped lead better understanding overall dynamics in these types systems.

Neutron scattering from single crystals has been used to determine the magnetic structure and magnon dynamics of ${\text{FePS}}_{3}$, an $S=2$ Ising-like quasi-two-dimensional antiferromagnet with a honeycomb lattice. The confirmed have propagation vector ${\mathbf{k}}_{M}=\left[01\frac{1}{2}\right]$ moments are collinear normal $ab$ planes. data could be modeled using Heisenberg Hamiltonian single-ion anisotropy. Magnetic interactions up third in-plane nearest neighbor needed included for...

A new NH.N hydrogen-bonded ferroelectric crystal of [C6H12N2H]+ReO - 4 (dabcoHReO4) exhibits exceptional dielectric properties that result from the unique structure where all bistable NH...N hydrogen bonds are parallel and directed exactly in same sense. Consequently, main structural origin spontaneous polarization is identical orientation asymmetric NH+...N along [001]. This first observation a with arrangement bonded aggregates, gives temperature-independent highest ever reported for an...

The development of multidetectors for use in X-ray and neutron scattering experiments has created an interest methods integrating Bragg peaks three-dimensional data arrays representing intensity scattered from single crystals. A method using a priori information, extracted the strongest peaks, to obtain statistically optimum results been developed at Institut Laue–Langevin (ILL), Grenoble. is outlined this paper its application diffraction are discussed.

We report a study of the magnetization density in mixed state unconventional superconductor Sr2RuO4. On entering superconducting we find no change magnitude or distribution induced moment for magnetic field 1 T applied within Ru O2 planes. Our results are consistent with spin-triplet Cooper pairing spins lying basal plane. This is contrast similar experiments performed on conventional and high- T(c) superconductors.

Low-temperature neutron diffraction and field-dependent heat capacity measurements for the monazite GdPO${}_{4}$ compound shows some very interesting properties. In particular it displays a large magnetocaloric effect promise in applications cooling at low temperatures.

We have determined the magnetic structures of single-crystal thin-films IrMn3 for crystallographic phases chemically-ordered L12 and chemically-disordered face-centred-cubic, which is phase typically chosen information-storage devices. For thin-film, we find same triangular structure as reported bulk material. determine face-centred-cubic alloy first time, differs from theoretical predictions, with moments tilted away crystal diagonals towards face-planes. study influence these two...

The magnetic properties and structure are presented for CoPS$_3$, a quasi-two-dimensional antiferromagnet on honeycomb lattice with N\'eel temperature of $T_N \sim 120$ K. compound is shown to have XY-like anisotropy in its susceptibility, the analysed extract crystal field parameters. For temperatures between 2 K 300 K, no phase transitions were observed field-dependent magnetization up 10 Tesla. Single-crystal neutron diffraction shows that propagation vector {\bf{k}}= $\left[010\right]$...

The structure of ${\mathrm{CuGeO}}_{3}$ has been analyzed by means x-ray and neutron single-crystal diffraction as a function temperature. There is pronounced temperature dependency the atomic positions in high-temperature Pbmm phase. observed deformation scheme on cooling from 295 to 20 K may be characterized rotation Cu[O(2)${]}_{2}$ ribbons around c axis. It related distortion below spin-Peierls transition, an impact magnetic interaction parameter J. For distorted phase, based large set...

Single-crystal neutron diffraction analyses of 2- and 3-aminophenols have been performed. In addition to O−H···N N−H···O hydrogen bonds, both these structures contain previously unidentified N−H···π C−H···O bonds. This unusual mutual recognition pattern is not found in 4-aminophenol other related systems. Its presence hints that the optimization herringbone interactions, rather than formation primary packing effect compounds. Our observations on simple isomeric aminophenols indicate it may...

A variable temperature (5-300 K) single crystal Laue neutron diffraction study has been conducted, and the gas absorption sites within hydrogen-loaded Zn(4)O(1,4-benzenedicarboxylate) have located.

Rhodium hydrido boryl complexes of the form [(PR3)2RhHCl{B(OR')2}] are key first intermediates in several Rh-catalyzed borylation processes. Previous theoretical studies have examined model compounds, e.g with PH3 and BH2 or B(OH)2 groups, there were little structural data available for this class compounds to compare calculated structures. This paper reports results single-crystal X-ray (at 120 K) neutron 20 diffraction on two such complexes, namely [(PiPr3)2RhHCl(Bpin)] (3Bpin)...

The long-accepted magnetic structure of $\mathrm{Fe}\mathrm{P}{\mathrm{S}}_{3}$ has recently been refuted through extensive powder neutron diffraction studies. Single-crystal diffraction, using both quasi-Laue and monochromatic techniques, now conducted to reveal more information about the nature ordering in this compound. unit cell was found be twice as large crystallographic $a$ $b$ directions around three times along $c$ direction, giving a propagation vector...

The structures of the paraelectric (tetragonal) phase KH2PO4(KDP) and 95% deuterated KD2PO4(DKDP) have been investigated as a function pressure temperature using high-resolution (sin theta max/ lambda >1 AA-1) single-crystal neutron-diffraction techniques. Data collected for both KDP DKDP at approximately 16 kbar room temperature, 12 few degrees above pressure-reduced transition Tc. Refinements yield good determinations P-T dependence disordered hydrogen (deuteron) site separation, delta ,...

Complementary experimental techniques and ab initio calculations were used to determine the origin nature of negative thermal expansion (NTE) in archetype metal-organic framework MOF-5 (Zn(4)O(1,4-benzenedicarboxylate)(3)). The organic linker was probed by inelastic neutron scattering under vacuum at a gas pressure 175 bar distinguish between temperature responses motions, local structure metal centers studied X-ray absorption spectroscopy. Multi-temperature powder- single-crystal...

The asthma therapeutic theophylline exists in at least three anhydrous polymorphs and a monohydrate. single-crystal X-ray structure of the high-temperature polymorph form I is presented for first time, energetic relationship between forms II investigated using partial charges chemical hardness analysis (PACHA) algorithm. It shown that interactions crystal network are stronger, especially hydrogen bond. neutron monohydrate demonstrates static disorder water molecule as well dynamic methyl...

Views Icon Article contents Figures & tables Video Audio Supplementary Data Peer Review Share Twitter Facebook Reddit LinkedIn Tools Reprints and Permissions Cite Search Site Citation Guochu Deng, Peiyin Guo, Wei Ren, Shixun Cao, Helen E. Maynard-Casely, Maxim Avdeev, Garry J. McIntyre; The magnetic structures transitions of a potential multiferroic orthoferrite ErFeO3. Journal Applied Physics 28 April 2015; 117 (16): 164105. https://doi.org/10.1063/1.4919367 Download citation file: Ris...

Highly efficient visible-light catalysts are achieved through forming defect-pairs in TiO2 nanocrystals. This study therefore proposes that fine-tuning the chemical scheme consisting of charge-compensated balanced concentrations is a key missing step for realizing outstanding photocatalytic performance. research benefits applications and also provides new insight into significance defect chemistry functionalizing materials. As service to our authors readers, this journal supporting...

Neutron powder diffraction experiments reveal that $\mathrm{C}{\mathrm{o}}_{4}\mathrm{N}{\mathrm{b}}_{2}{\mathrm{O}}_{9}$ forms a noncollinear in-plane magnetic structure with $\mathrm{C}{\mathrm{o}}^{2+}$ moments lying in the $ab$ plane. The spin-wave excitations of this magnet were measured by using inelastic neutron scattering and soundly simulated dynamic model involving nearest- next-nearest-neighbor exchange interactions, anisotropy, Dzyaloshinskii-Moriya interaction. is attributed to...

The reaction of 4,4'-bipyridylethane (bpe) and 4,4'-dipyridyl disulfide (dpds) with Zn(OAc)2.2H2O has led to the formation two coordination polymers, [Zn(OAc)2(mu-bpe)].2H2O (1) [Zn(OAc)2(mu-dpds)] (2). Both compounds have zigzag polymeric structures as revealed by X-ray crystallography. However, presence lattice water molecules in 1 results an interesting difference between crystal structures. In 1, carboxylate carbonyl oxygen atoms Zn(OAc)2 groups from different adjacent polymers four form...

A family of Group 4 post-metallocene catalysts, supported by fluorine-functionalized tridentate ligands with the fluorine substituent in locality metal center, is described. For first time, contentious C-H...F-C interaction has been characterized a neutron diffraction study, which allowed position hydrogen atoms to be accurately determined. The nature weak intramolecular contacts these complexes solution and solid state was probed using multinuclear NMR spectroscopy tandem X-ray...