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1.
《Mendeleev Communications》2022,32(1):105-108
A mixed-metal 1D coordination polymer [CaCu(HBTC)2(H2O)8]n (where H3BTC – benzene-1,3,5-tric arboxylic acid) was obtained in a solvothermal synthesis of a well-known copper-containing metal–organic framework [Cu3(BTC)2(H2O)3]n (HKUST-1) in autoclaves 3D-printed from commercial polypropylene. This material was a source of calcium ions, apparently, leaking from a colorant (calcium carbonate) promoted by glacial acetic acid as a modulator used to produce large single crystals of HKUST-1. This finding was confirmed by elemental analysis and a model experiment that resulted in a new calcium-based 1D coordination polymer [Ca(H2BTC)2(H2O)5]n under the same solvothermal conditions with no copper or calcium salts put into a 3D-printed autoclave. 相似文献
2.
Wacker oxidation is an industry-adopted process to transform olefins into value-added epoxides and carbonyls. However, traditional Wacker oxidation involves the use of homogeneous palladium and copper catalysts for the olefin addition and reductive elimination. Here, we demonstrated an ultrahigh loading Cu single atom catalyst(14% Cu, mass fraction) for the palladium-free Wacker oxidation of 4-vinylanisole into the corresponding ketone with N-methylhydroxylamine hydrochloride as an additive under mild conditions. Mechanistic studies by 18O and deuterium isotope labelling revealed a hydrogen shift mechanism in this palladium-free process using N-methylhydroxylamine hydrochloride as the oxygen source. The reaction scope can be further extended to Kucherov oxidation. Our study paves the way to replace noble metal catalysts in the traditional homogeneous processes with single atom catalysts. 相似文献
3.
Renny Mathew Karolina A. Uchman Lydia Gkoura Chris J. Pickard Maria Baias 《Magnetic resonance in chemistry : MRC》2020,58(11):1018-1025
A combined experimental and computational approach was used to distinguish between different polymorphs of the pharmaceutical drug aspirin. This method involves the use of ab initio random structure searching (AIRSS), a density functional theory (DFT)-based crystal structure prediction method for the high-accuracy prediction of polymorphic structures, with DFT calculations of nuclear magnetic resonance (NMR) parameters and solid-state NMR experiments at natural abundance. AIRSS was used to predict the crystal structures of form-I and form-II of aspirin. The root-mean-square deviation between experimental and calculated 1H chemical shifts was used to identify form-I as the polymorph present in the experimental sample, the selection being successful despite the large similarities between the molecular environments in the crystals of the two polymorphs. 相似文献
4.
Dr. Sebastian Lars Müller Xinglong Zhou Dr. Peter Leonard Oxana Korzhenko Dr. Constantin Daniliuc Prof. Dr. Frank Seela 《Chemistry (Weinheim an der Bergstrasse, Germany)》2019,25(12):3077-3090
Silver-mediated α-dC–Ag+–β-dC hybrid base pairs decorated with 5-iodo- or 5-octadiynyl residues are well accommodated in duplex DNA. A strong Tm increase and favorable thermodynamic data for duplex DNA were observed after addition of silver ions. The phenomenon is particularly obvious when both nucleobases of the base pairs are functionalized. Neither the position of the base pair, nor the type of 5-substituent had a negative influence. On the contrary, functionalization of conventional silver-mediated β-dC–Ag+–β-dC homo base pairs showed a negative impact induced by the bulky substituents. To this end, cytosine modified 12-mer oligodeoxynucleotides were prepared by solid-phase synthesis employing new α-anomeric 2′-deoxycytidine phosphoramidites. A multigram scale synthesis was developed for 5-iodo-α-d -2′-deoxycytidine ( 1 ) employing the direct glycosylation of cytosine with Hoffer's α-d -halogenose followed by separation of anomeric DMT nucleosides. Regarding base-pair stability and functionalization silver-mediated α/β-dC hybrid base pairs were found to be superior to β/β-dC homo pairs. According to their extraordinary properties, they might find applications in DNA diagnostics, material science, or nanotechnology. 相似文献
5.
以焦炉上升管内壁结焦炭层块为研究对象,采用X射线荧光光谱仪(XRF)、X射线衍射仪(XRD)、傅里叶红外光谱仪(FTIR)和激光共聚焦拉曼光谱仪(Raman)对结焦炭层的元素组成,以及各结焦炭层的矿物组成、组成结构和分子结构进行测试。分析从结焦炭层块外表面向内表面过渡的各结焦炭层的差异性,揭示焦炉上升管内壁结焦机理。结果表明焦炉上升管内粉尘中Fe,S和Cr极易催化荒煤气中蒽、萘等稠环芳烃化合物成炭,在焦炉上升管内壁形成炭颗粒沉积,为焦油凝结挂壁提供载体,在荒煤气温度降至结焦温度时易结焦积碳。结焦炭层均含有芳香层结构,随着结焦炭层从外表面向内表面过渡,各结焦炭层的面层间距(d002)逐渐降低、层片直径(La)先降低后增加、层片堆砌高度(Lc)和芳香层数(N)先稳定后增加。结焦炭层石墨化过程是由结焦炭层内表面向外表面进行,主要包括其片层外缘的羧基和部分C-O结构的降解剥离,从而形成高度规整的共轭结构。结焦炭层块中C元素是以结晶碳与无定型碳的混合物形式存在。以上研究为解决焦炉上升管内壁结焦及腐蚀问题,提高换热器换热效率,有效回收焦炉荒煤气显热,降低焦化企业能耗提供实验基础和理论依据。 相似文献
6.
7.
A.R. Phani M. PassacantandoS. Santucci 《Journal of Physics and Chemistry of Solids》2002,63(3):383-392
Crack free, dense and transparent CdTiO3 thin films have been prepared by sol-gel technique using titanium butoxide and cadmium acetate. The formation of the CdTiO3 phase started from 500°C annealing temperature onwards. The complete orthorhombic structure of CdTiO3 was formed on Silicon (100) substrate at an annealing temperature of 600°C for 5 h. As the annealing temperature increased from 600 to 700°C, we have observed the cadmium silicate phase at the interface of Si and CdTiO3 phase. Structural, morphological and elemental evolution of these CdTiO3 thin films produced by sol-gel synthesis were characterised by grazing incidence X-ray diffraction (GIXRD), tapping mode atomic force microscopy (TMAFM), scanning electron microscopy (SEM) and X-ray photoelectron spectroscopy (XPS) respectively. 相似文献
8.
9.
Tsutomu KumagaiMasaaki Tomura Jun-ichi NishidaYoshiro Yamashita 《Tetrahedron letters》2003,44(36):6845-6848
1,3-Dithiol-2-ylidene derivatives containing bis(ethynylpyridine) units were synthesized using a Pd-catalyzed reaction of the corresponding dibromide. X-Ray crystal analysis revealed unique crystal structures depending on the aromatic groups. The absorption spectra and redox properties indicated intramolecular charge-transfer interactions between the 1,3-dithiole unit and the pyridyl parts. 相似文献
10.
Electron beam induced quantitative X-ray mapping has become a very useful characterisation tool for determining the elemental
distribution in materials, whether using energy dispersive spectroscopy or wavelength dispersive spectroscopy. The X-ray intensity
distributions of the elements from an X-ray map allow us to generate two dimensional and ternary scatter diagrams thus converting
spatial information into concentration dimensions, which is an important tool for displaying the spatial relationships of
elements or correlated elements (phases) in materials. To best understand how to use this tool, we need to understand the
production and features of the scatter diagram. The type of clustering observed in the scatter diagram, whether oval, linear
or spherical, can give the major and trace element distributions within phases as well as qualitative and quantitative phase
information. This paper demonstrates the generation of scatter diagrams, properties of scatter diagrams, interpretation of
scatter diagrams and the advantages of scatter diagrams through the use of examples. 相似文献