Cobalt Chalcogenide Clusters. Synthesis,Characterization and DFT Calculations of [Co4Se2(CO)10] and [Co4Te2(CO)11]. Crystal Structure of [Co8Se4(CO)16(μ‐dppa)2]

The reactions of [Co₂(CO)₈] with E(SiMe₃)₂ (E = Se, Te) in CH₂Cl₂ result in the formation of the compounds [Co₄Se₂(CO)₁₀]> ( 1 ) and [Co₄Te₂(CO)₁₁] ( 2 ), respectively. Both cluster complexes have similar molecular structures in which the cobalt atoms form four‐membered rings with μ₄‐bridging chalcogen atoms (Se and Te) above and below the plane of the metal atoms and the carbonyl ligands as either terminal or μ₂‐bridging ligands. DFT‐calculations for both compounds have been carried out in order to obtain some more information about their electronic distribution. In the presence of the phosphine Ph₂PC≡CPPh₂ (dppa), the reaction of [Co₂(CO)₈] with Se(SiMe₃)₂ leads to the formation of [Co₈Se₄(CO)₁₆(μ‐dppa)₂] ( 3 ). During the reaction two molecules of [Co₂(CO)₈] have been added to the acetylene groups of the dppa ligands, whilst the remaining cobalt atoms coordinate to the phosphorus atoms of the phosphine. In this compounds the selenium atoms act as μ₃‐ligands, bridging the metal atoms bonded to the phosphorus with those bonded to the acetylene groups.     

Shake-up and multiplet structure of ESCA satellites of Cu compounds

The ESCA inner shell spectra of Cu compounds are investigated theoretically. It is shown that the large satellites appearing for Cu(II) compounds correspond to shake-up states which are close to the configuration p⁵d⁹ and have the characteristic multiplet splitting of this configuration.     

A new high-spin isomer in 39 97 Y58

An isomeric state at 3,523 keV excitation energy in⁹⁷Y with a half-life of 144(10) ms has been discovered with the fission-product separator JOSEF. This isomer is depopulated through aγ transition of 162 keV. AnE3 multipolarity for this transition is consistent with the measured conversion coefficients ofα _K =0.98(20) andα _T =1.00(19). Subsequent electromagnetic transitions populate several new⁹⁷Y levels which have high spins. For the isomer the three-quasiparticle configuration [πg _9/2?ν(h _11/2,g _7/2)]27/2^? is proposed. TheE3 transition with a strength about 2 single-particle units is supposed to be of the typeh ₁₁ ^2/+1 →d ₅ ^2/?1 . These findings provide evidence for the rapid shape transition atA?100 since they indicate shell-model character of ₃₉ ⁹⁷ Y₅₈ even at high excitation energies while the immediate neighbour ₃₉ ⁹⁸ Y₅₉ contains a rotational band based on a level at 495 keV.     

Unsupervised cell identification on multidimensional X‐ray fluorescence datasets

A novel approach to locate, identify and refine positions and whole areas of cell structures based on elemental contents measured by X‐ray fluorescence microscopy is introduced. It is shown that, by initializing with only a handful of prototypical cell regions, this approach can obtain consistent identification of whole cells, even when cells are overlapping, without training by explicit annotation. It is robust both to different measurements on the same sample and to different initializations. This effort provides a versatile framework to identify targeted cellular structures from datasets too complex for manual analysis, like most X‐ray fluorescence microscopy data. Possible future extensions are also discussed.     

Investigation of the ε phase in the Fe–Al system by high-temperature neutron diffraction

In the central part of the Fe–Al system between about 58 and 65 at.% Al, a high-temperature phase denoted as ε occurs with a hitherto unknown crystallographic structure. The phase is stable between 1231°C and 1095°C. In order to study the crystallographic structure of the ε phase, in situ high-temperature neutron time-of-flight diffraction experiments have been performed at the HIPPO instrument at the Los Alamos Neutron Science Center (LANSCE). The ε phase was found to have the formula Fe₅Al₈ with a body-centred cubic structure of the Hume–Rothery Cu₅Zn₈ type (I $\bar{4}3In the central part of the Fe–Al system between about 58 and 65 at.% Al, a high-temperature phase denoted as ε occurs with a hitherto unknown crystallographic structure. The phase is stable between 1231°C and 1095°C. In order to study the crystallographic structure of the ε phase, in situ high-temperature neutron time-of-flight diffraction experiments have been performed at the HIPPO instrument at the Los Alamos Neutron Science Center (LANSCE). The ε phase was found to have the formula Fe₅Al₈ with a body-centred cubic structure of the Hume–Rothery Cu₅Zn₈ type (I[`4]3\bar{4}3m (No. 217), Z=4, cI52) and 52 atoms in the unit cell. Its lattice parameter is a=8.9756(2) ? at 1120°C, which is 3.02 times that of cubic FeAl (B2) at the same temperature. We report here the evolution of the crystallographic parameters over the temperature range between 1080°C and 1120°C.     

乙基苯胺的转动光谱及分子结构

本文使用傅里叶变换微波谱仪研究了乙基苯胺类物质(邻乙基苯胺,间乙基苯胺,对乙基苯胺)的分子结构. 由于此类分子含氮原子(I¹⁴N=1),因此跃迁谱线中都呈现出核四级裂分. 通过比较实验测定得到的分子结构,可总结苯胺环上不同位置乙基的取代对氨基及分子整体结构的影响.