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951.
Paweł Wyżga Igor Veremchuk Matej Bobnar Primož Koželj Steffen Klenner Rainer Pöttgen Andreas Leithe-Jasper Roman Gumeniuk 《Chemistry (Weinheim an der Bergstrasse, Germany)》2020,26(23):5245-5256
The homogeneity range of ternary iron indium thiospinel at 873 K was investigated. A detailed study was focused on two distinct series (y=z): 1) a previously reported charge-balanced (In0.67+0.33y□0.33−0.33y)tetr[In2−zFez]octS4 (A1-series; □ stands for vacancy; the abbreviations “tetr” and “oct” indicate atoms occupying tetrahedral 8a and octahedral 16d sites, respectively) and 2) a new charge-unbalanced (In0.67+y□0.33−y)tetr[In2−zFez]octS4 (A2-series). Fe atoms were confirmed to exclusively occupy an octahedral position in both series. An unusual reduction of the unit cell parameter with increasing Fe content is explained by differences in the ionic radii between Fe and In, as well as by an additional electrostatic attraction originating from charge imbalance (latter only in A2-series). The studied compound is an n-type semiconductor, and its charge carrier concentration increases or decreases for larger Fe content within the A1- and A2-series, respectively. The thermal conductivity κtot is significantly reduced upon increasing vacancy concentration, whereas the change of power factor is insufficient to drastically improve the thermoelectric figure of merit. 相似文献
952.
Christina Zovko Dr. Sebastian Bestgen Dr. Christoph Schoo Anne Görner Prof. Jose M. Goicoechea Prof. Peter W. Roesky 《Chemistry (Weinheim an der Bergstrasse, Germany)》2020,26(58):13191-13202
A bis(diphenyl)-phosphine functionalized β-diketimine (PNac-H) was synthesized as a flexible ligand for transition metal complexes. The newly designed ligand features symmetrically placed phosphine moieties around a β-diketimine unit, forming a PNNP-type pocket. Due to the hard and soft donor atoms (N vs. P) the ligand can stabilize various coordination polyhedra. A complete series ranging from coordination numbers 2 to 6 was realized. Linear, trigonal planar, square planar, tetrahedral, square pyramidal, and octahedral coordination arrangements containing the PNac-ligand around the metal center were observed by using suitable metal sources. Hereby, PNac-H or its anion PNac− acts as mono-, bi- and tetradendate ligand. Such a broad flexibility is unusual for a rigid tetradentate system. The structural motifs were realized by treatment of PNac-H with a series of late transition metal precursors, for example, silver, gold, nickel, copper, platinum, and rhodium. The new complexes have been fully characterized by single crystal X-ray diffraction, NMR, IR, UV/Vis spectroscopy, mass spectrometry as well as elemental analysis. Additionally, selected complexes were investigated regarding their photophysical properties. Thus, PNac-H proved to be an ideal ligand platform for the selective coordination and stabilization of various metal ions in diverse polyhedra and oxidation states. 相似文献
953.
利用溶剂热法合成了2种含镉汞的二维(2D)四元硒化物K8Cd2.79Hg9.21Se16(1)和Rb4Hg3.04Cd2.96Se8 (2)。单晶X射线衍射分析表明,化合物1为正交晶系,空间群为Pbcn,a=1.082 71(17) nm,b=0.678 73(10) nm,c=1.415 0(2) nm,Z=1;化合物2为正交晶系,空间群为Ibam,a=0.640 72(10) nm,b=1.160 25(16) nm,c=1.452 0(2) nm,Z=2。化合物1中含有八元环Cd2Hg2Se4和六元环CdHg2Se3阴离子层(Cd2.79Hg9.21Se16)n8n-;化合物2中含有八元环Cd2(Cd/Hg)2Se4及四元环CdHgSe2和(Cd/Hg)2Se2阴离子层(Hg3.04Cd2.96Se8)n4n-。对这2种化合物进行了扫描电镜和能谱分析、粉末X射线衍射、差示扫描量热分析、固体-可见漫反射光谱和荧光性质等表征。 相似文献
954.
用溶剂热方法合成了2个新的3d-4f异金属四核簇合物:[Zn2Ln2(salen)2(CO2PyCH2O)2(MeOH)2](ClO4)2·2MeOH(Ln=Dy(1),Tb(2);H2salen=N,N'-双(3-甲氧基水杨基)-1,3-二氨基丙烷;HCO2PyCH2OH=6-羧基吡啶-2-甲醇)。它们是由锌(Ⅱ)Schiff碱构筑模块和6-羧基吡啶-2-甲醇辅助配体组装而成的Zn-Ln2-Zn型簇合物。磁性测量表明稀土离子间存在铁磁性相互作用。Zn2Dy2配合物1在2 000 Oe直流磁场下显示出磁弛豫行为;而Zn2Tb2配合物2不但有磁场导致的磁弛豫行为,而且还具有荧光性质。 相似文献
955.
采用水热方法,用醚氧桥联的三羧酸配体(H3dpna)和四羧酸配体(H4deta)为主配体,2,2''-联吡啶(2,2''-bipy)和菲咯啉(phen)为辅助配体,分别与CuCl2·H2O、ZnCl2和MnCl2·4H2O反应,合成了2个二维配位聚合物{[Cu3(μ4-dpna)2(2,2''-bipy)2]·4H2O}n(1)和{[Zn3(μ4-dpna)2(2,2''-bipy)2(H2O)2]·6H2O}n(2)以及2个一维配位聚合物{[M2(μ4-deta)(phen)2(H2O)]·3H2O}n(M=Mn(3),Zn(4)),并对其结构、荧光和光催化性质进行了研究。结构分析结果表明配合物1和2属于单斜晶系,P21/c和C2/c空间群。由于采用了不同的金属离子,配合物1和2呈现不同的二维层结构。配合物3和4为异质同心结构,均属于单斜晶系,P21/n空间群。配合物3和4都具有一维链结构。另外,研究了这些配合物的荧光和对有机染料亚甲基蓝的光催化降解性能,结果表明配合物2和4可以高效地降解亚甲基蓝。 相似文献
956.
《中国化学快报》2020,31(6):1640-1643
The physicochemical properties of surfaces have a great effect on the micro-morphologies of the crystal structures which are in contact with them.Understanding the interaction mechanism between the internal driving forces of the crystal and external inducing forces of the surfaces is the prerequisite of controlling and obtaining the desirable morphologies.In this work,the dynamic density functional theory was applied to construct the free energy functional expression of polyethylene(PE) lattice,and the micro-dynamic evolution processes of PE lattice morphology near the surfaces with different properties were observed to reveal the interaction mechanism at atomic scale.The results showed that the physical and chemical properties of the external surfaces synergistically affect the morphologies in both the defect shapes and the distribution of the defect regions.In the absence of the contact surfaces,driven by the oriented interactions among different CH2 groups,PE lattices gradually grow and form a defect-free structure.Conversely,the presence of contact surfaces leads to lattice defects in the interfacial regions,and PE lattice shows different self-healing abilities around different surfaces. 相似文献
957.
958.
We apply the first-principles approach to study the structural stability, Vickers hardness, and elastic modulus of ReB12 and RuB12. In particular, we further investigate the influence of high pressure on the structural stability and mechanical properties of ReB12 and RuB12. The calculated results show that ReB12 and RuB12 are thermodynamic stability under high pressure. Here, ReB12 is more thermodynamic stability than that of the RuB12. The calculated Vickers hardness of ReB12 and RuB12 is 16.25 and 16.55 GPa, respectively. It is found that the calculated elastic constants and elastic modulus of ReB12 and RuB12 increase with increasing pressure. In particular, the calculated elastic constants and elastic modulus of ReB12 are larger than that of the RuB12. The calculated electronic structure shows that the high hardness and elastic modulus of ReB12 and RuB12 are attributed to the 3D network B-B covalent bonds. 相似文献
959.
960.
The objective of this work was to prepare the mechanically stable hydrophobic biocomposites by incorporating the cellulose fibers into the polymer matrices for their applications in biomedical and food packaging. Herein, two different types of biocomposites were prepared by mixing polylactic acid (PLA) and polyhydroxybutyrate (PHB) with the agro-extracted cellulose, separately at 170 °C. The influence of the cellulose fibers on the thermal, mechanical, and barrier properties of polymer matrices (PLA and PHB) was observed. With an increase in the cellulose content in PLA and PHB, the tensile strength of the biocomposite materials significantly improved with the enhancement of 24.45% and 32.08%, respectively, compared with the pure PLA and PHB. Furthermore, a decrease of 74.16% and 73.49% in the water vapor transmission rate and oxygen transmission rate, respectively, was observed for cellulose/PHB biocomposites. This study highlights that adding cellulose fibers significantly improves the mechanical and the barrier properties of PLA and PHB, suggesting their biocomposites for use in biodegradable polymer industries. 相似文献