3-Halo-5,6-dihydro-4-1,2-oxazine -oxides as synthetic equivalents of unsaturated nitrile oxides in the [3 + 2]-cycloaddition with arynes: synthesis of substituted 3-vinyl-1,2-benzisoxazoles.

The reaction of 3-halo-5,6-dihydro-4-1,2-oxazine -oxides with arynes was studied. Arynes were generated from -silylaryl triflates and underwent consecutive [3 + 2]-cycloaddition/[4 + 2]-cycloreversion with -oxides leading to substituted 3-vinyl-benzisoxazoles in high yields. In the presented sequence, 1,2-oxazine -oxides act as surrogates of rarely employed unsaturated nitrile oxides.

Signatures of nearly compensated magnetism and spin glass behavior in highly frustrated β-Mn-type Mn50Fe25+xAl25-x Heusler alloys.

The present study examines the effect of Fe/Al concentration on the structural and magnetic properties of Mn-rich Mn50Fe25+xAl25-x (x = 5, 10, 15) Heusler alloys through x-ray diffraction, temperature- and field-dependent DC magnetization, thermoremanent magnetization, magnetic memory effect, AC susceptibility measurements, and DFT calculations. The samples crystallize in a cubic β-Mn structure. The trend shows a reduction in lattice parameters (unit cell volume) with the increasing Fe proportion.

Effect of a single methyl substituent on the electronic structure of cobaltocene studied by computationally assisted MATI spectroscopy.

Metallocenes represent archetypical organometallic compounds playing key roles in various fields of fundamental and applied chemistry. Many of their unique properties arise from low ionization energies (IE) which can be tuned by introducing substituents into the rings. Here we report the first mass-analyzed threshold ionization (MATI) spectrum of a methylmetallocene, (Cp')(Cp)Co (Cp' = η-CHMe, Cp = η-CH).

Electronic Structure and Transport Properties of BiTe and BiSe Single Crystals.

The electrical resistivity and the Hall effect of topological insulator BiTe and BiSe single crystals were studied in the temperature range from 4.2 to 300 K and in magnetic fields up to 10 T. Theoretical calculations of the electronic structure of these compounds were carried out in density functional approach, taking into account spin-orbit coupling and crystal structure data for temperatures of 5, 50 and 300 K.

Low-Temperature Predicted Structures of AgS (Silver Sulfide).

Silver sulfide phases, such as body-centered cubic argentite and monoclinic acanthite, are widely known. Traditionally, acanthite is regarded as the only low-temperature phase of silver sulfide. However, the possible existence of other low-temperature phases of silver sulfide cannot be ruled out.