scholarly journals Spin-reversal energy barriers of 305 K for Fe2+ d6 ions with linear ligand coordination

Nanoscale ◽  
2017 ◽  
Vol 9 (30) ◽  
pp. 10596-10600 ◽  
Author(s):  
Lei Xu ◽  
Ziba Zangeneh ◽  
Ravi Yadav ◽  
Stanislav Avdoshenko ◽  
Jeroen van den Brink ◽  
...  

A remarkably large magnetic anisotropy energy of 305 K is computed by quantum chemistry methods for divalent Fe2+ d6 substitutes at Li-ion sites with D6h point-group symmetry within the solid-state matrix of Li3N.

Author(s):  
Chahira Bouzidi ◽  
Wafa Frigui ◽  
Mohamed Faouzi Zid

The new phase potassium pentasodium trimanganese hexakis(molybdate), KNa5Mn3Mo6O24, has been synthesized using solid-state methods. The structure is composed ofM2O10(M= Mn, Na) dimers and MoO4tetrahedra (point group symmetry 2) sharing corners and forming layers parallel to (100), which are linkedviacommon corners of another type ofMO4tetrahedra, forming a three-dimensional structure with two types of large channels along [001] in which two types of Na+cations (one with site symmetry 2, one with -1) and K+cations (site symmetry 2, half-occupation) are located. Mn2+and the third type of Na+cations are located at the same siteMwith occupancies of 0.75 and 0.25, respectively. A comparative structural description is provided between the structure of the title compound and those of the related phases Cu1.35Fe3(PO4)3and NaAgFeMn2(PO4)3.


2020 ◽  
Author(s):  
Xiaojing Xia ◽  
Anupum Pant ◽  
Xuezhe Zhou ◽  
Elena Dobretsova ◽  
Alex Bard ◽  
...  

Fluoride crystals, due to their low phonon energies, are attractive hosts of trivalent lanthanide ions for applications in upconverting phosphors, quantum information science, and solid-state laser refrigeration. In this article, we report the rapid, low-cost hydrothermal synthesis of potassium lutetium fluoride (KLF) microcrystals for applications in solid-state laser refrigeration. Four crystalline phases were synthesized, namely orthorhombic K<sub>2</sub>LuF<sub>5</sub> (Pnma), trigonal KLuF<sub>4</sub> (P3<sub>1</sub>21), orthorhombic KLu<sub>2</sub>F<sub>7</sub> (Pna2<sub>1</sub>), and cubic KLu<sub>3</sub>F<sub>10</sub> (Fm3m), with each phase exhibiting unique microcrystalline morphologies. Luminescence spectra and emission lifetimes of the four crystalline phases were characterized based on the point-group symmetry of trivalent cations. Laser refrigeration was measured by observing both the optomechanical eigenfrequencies of microcrystals on cantilevers in vacuum, and also the Brownian dynamics of optically trapped microcrystals in water. Among all four crystalline phases, the most significant cooling was observed for 10%Yb:KLuF<sub>4</sub> with cooling of 8.6 $\pm$ 2.1 K below room temperature. Reduced heating was observed with 10%Yb:K<sub>2</sub>LuF<sub>5</sub>


1975 ◽  
Vol 53 (7) ◽  
pp. 723-738 ◽  
Author(s):  
B. C. Sanctuary ◽  
R. F. Snider

The gas kinetic theory of nuclear magnetic relaxation of a polyatomic gas, as formulated in the previous paper, is evaluated for ZX3Y molecules relaxing via a dipolar coupling Hamiltonian. Stress is given to a proper treatment of point group symmetry, here C3v, and the possibility of molecular inversion is included. The detailed formula for the spin traces is however restricted to X nuclei with spin 1/2. A subsequent paper uses these results to elucidate the structure of the high density dependence of T1 forCF3H.


MRS Bulletin ◽  
1994 ◽  
Vol 19 (11) ◽  
pp. 28-30 ◽  
Author(s):  
C.N.R. Rao ◽  
Ram Seshadri

By virtue of their unique structures, fullerenes exhibit novel chemical transformations. Particularly pertinent to this article are the interesting properties exhibited by fullerenes in the solid state. These molecules are spherical or near-spherical in shape. Molecules with high point-group symmetry, which are not bound strongly in the solid state, tend to crystallize into structures with long-range periodicity of the molecular centers of mass, but the molecular orientations are random or even dynamically disordered. When dynamically disordered, themolecules rotate about some preferred axis. C60 and C70 satisfy the criteria for such orientationally disordered solids and exhibit rich phase behavior in the solid state. Since C60 has high electron affinity, it forms anion salts with alkali and alkaline-earth metals as well as with strong organic donor molecules. With tetrakis dimethylaminoethylene (TDAE), which is a very powerful electron donor, C60 forms a 1:1 solid that is ferromagnetic. C60-TDAE is the molecular organic ferromagnet with the highest Tc (of 16 K) known to date. Some of the alkali and alkaline-earth fullerides, on the other hand, show superconductivity, with transition temperatures going up to 33K. We shall briefly examine some of these solid-state properties.


2021 ◽  
Vol 103 (10) ◽  
Author(s):  
Y. J. Jin ◽  
Z. J. Chen ◽  
X. L. Xiao ◽  
H. Xu

IUCrData ◽  
2017 ◽  
Vol 2 (6) ◽  
Author(s):  
Yoshiyuki Mizuhata ◽  
Yamato Omatsu ◽  
Norihiro Tokitoh

The molecule of the title compound, C36H60Si6, exhibits point group symmetryCi, with the centre of inversion located at the centre of the Si6ring. The Si6ring has a chair conformation. In the crystal, molecules are linkedviaC—H...π(allyl) interactions.


Author(s):  
Bougar Sarr ◽  
Abdou Mbaye ◽  
Cheikh Abdoul Khadir Diop ◽  
Mamadou Sidibe ◽  
Yoann Rousselin

The organic–inorganic title salt, (C6H16N)2[Sn(C2O4)2Cl2] or ( i Pr2NH2)2[Sn(C2O4)2Cl2], was obtained by reacting bis(diisopropylammonium) oxalate with tin(IV) chloride dihydrate in methanol. The SnIV atom is coordinated by two chelating oxalate ligands and two chloride ions in cis positions, giving rise to an [Sn(C2O4)2Cl2]2− anion (point group symmetry 2), with the SnIV atom in a slightly distorted octahedral coordination. The cohesion of the crystal structure is ensured by the formation of N—H...O hydrogen bonding between (iPr2NH2)+ cations and [SnCl2(C2O4)2]2− anions. This gives rise to an infinite chain structure extending parallel to [101]. The main inter-chain interactions are van der Waals forces. The electronic spectrum of the title compound displays only one high intensity band in the UV region assignable to ligand–metal ion charge-transfer (LMCT) transitions. An IR spectrum was also recorded and is discussed.


1971 ◽  
Vol 2 (12) ◽  
pp. 3485-3486 ◽  
Author(s):  
Santiago Harriague ◽  
Harry A. Leibovich

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