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1.
Tellurium (IV) complexes with pyridine-2,6-dicarboxylate ligand were synthesized by slow evaporation from aqueous solutions yielding a new compound: [(C7H6NO4)2TeBr6·4H2O]. The structure of this compound was solved and refined by single-crystal X-ray diffraction. The compound is centrosymmetric P21/c (N°: 14) with the parameters a = 8.875(5) Å, b = 15.174(5) Å, c = 10.199(5) Å, β = 94.271° (5) and Z = 2. The structure consists of isolated H2O, isolated [TeBr6]2? octahedral anions and (pyridine-2,6-dicarboxylate) [C7H6NO4]+ cations. The stability of the structure was ensured by ionic and hydrogen bonding contacts (N–H?Br and O–H?Br) and Van-Der Walls interaction. The thermal decomposition of the compound was studied by thermogravimetric analysis (TGA) and differential scanning calorimetry (DSC). The FTIR and Raman spectroscopy at different temperatures confirm the existence of vibrational modes that correspond to the organic, inorganic and water molecular groups. Additionally, the UV–Vis diffuse reflectance spectrum was recorded in order to investigate the band gap nature. The measurements show that this compound exhibits a semiconducting behavior with an optical band gap of 2.66 eV.  相似文献   

2.
A series of novel 2,4-diaminopyrimidine-modified compounds was designed and synthesized. Compound 14 showed micromolar dual inhibitory effect on both FP-2 and PfDHFR, and potential inhibition to the proliferation of P. falciparum 3D7 strain and chloroquine-resistant P. falciparum Dd2 strain.  相似文献   

3.
By means of the hybrid exchange–correlation functionals, as it is implemented in the CRYSTAL computer code, ab initio calculations for main ABO3 perovskite (0 0 1) surfaces, namely SrTiO3, BaTiO3, PbTiO3, CaTiO3, SrZrO3, BaZrO3, PbZrO3 and CaZrO3, were performed. For ABO3 perovskite (0 0 1) surfaces, with a few exceptions, all atoms of the upper surface layer relax inward, all atoms of the second surface layer relax outward, and all third layer atoms, again, inward. The relaxation of (0 0 1) surface metal atoms for ABO3 perovskite upper two surface layers for both AO and BO2-terminations, in most cases, are considerably larger than that of oxygen atoms, what leads to a considerable rumpling of the outermost plane. The ABO3 perovskite (0 0 1) surface energies always are smaller than the (0 1 1) and especially (1 1 1) surface energies. The ABO3 perovskite AO and BO2-terminated (0 0 1) surface band gaps always are reduced with respect to the bulk values. The B–O chemical bond population in ABO3 perovskite bulk always are smaller than near the (0 0 1) and especially (0 1 1) surfaces.  相似文献   

4.
SnO prepared by soft chemistry exhibits a black color and semiconducting properties. The X-ray diffraction indicates a tetragonal symmetry (SG: P4/nmm) with nano crystallites of an average size of 85 nm. The forbidden band, determined from the diffuse reflectance is found to be 1.46 eV. The electrical conductivity occurs by polaron hopping and follows an Arrhenius type law with activation energy of 0.21 eV, the change in the slope at 526 K is attributed to the oxidation to SnO2. The photo-electrochemical study shows n type conduction with a flat band potential of ?0.45 V, close to the photocurrent onset potential (?0.40 V). The electrochemical impedance spectroscopy shows the bulk contribution of SnO (Rb = 1.7  cm2) and decreases down to 1.89  cm2 under illumination. The photocatalytic properties have been evaluated for the first time for to the oxygen evolution. The valence band, deriving from Sn2+: 5p orbital with a potential (?0.80 VSCE/5.55 eV), is suitably positioned with respect to O2/H2O level (~0.6 VSCE), leading to water oxidation under visible light. The best performance occurs at pH  7 with an oxygen liberation rate of 23 µmol mL h?1 (mg catalyst)?1 and a quantum efficiency of 1.2%. An improvement of ~13% is observed on the system SnO/clay.  相似文献   

5.
Nitrogen doped carbon nanosheets supported molybdenum carbides nanoparticles (MoxC/NCS) have been synthesized by tuning the mass ratio of melamine and ammonia molybdate. The Mo2C/NCS-10 exhibits superior electrocatalytic performance and stability for HER, which was attributed to N-doped carbon nanosheets, small particle size, mesoporous structure, and large electrochemical active surface area.  相似文献   

6.
Lithium amides have been proved to be effective anionic initiators for the anionic polymerization of acrylonitrile to get high molecular weight polyacrylonitrile in this study. Polyacrylonitrile with weightaverage molecular weight ranging from 1.02 × 10~6 g/mol to 1.23 ×10~6 g/mol (M_w/M_n= 1.9-2.2) could be prepared utilizing lithium amides derived from diisopropylamine, diethylamine, hexamethyldisilazane,dicyclohexylamine, and 2,2,6,6-tetramethylpiperidine as initiators. The polymerization of acrylonitrile proceeded in a homogeneous manner in N,N-di methyl for mamide and insignificant contribution of side reactions was confirmed.  相似文献   

7.
A novel 3D Ag(I)-MOFs, [Ag2(H3ddcba)(dpp)2] (1), which features pcu (412·63) topology were successfully synthesized. Complex 1 exhibits predominant catalytic activity towards the degradation of o-nitrophenol (2-NP), m-nitrophenol (3-NP) and p-nitrophenol (4-NP) in aqueous solution.  相似文献   

8.
Novel conjugated polymers with bisindolymaleimide were synthesized via simple metal-free condensation polymerization. The polymers exhibited high glass transition temperatures and decomposition temperatures with considerable luminescent properties.  相似文献   

9.
Further synthetic potential of halotrimethylsilane-nitrate salt mixture is revealed. A mixture of TMSX-Cu(NO3)2·3H2O system is found to be an efficient reagent system for both the decarboxylative nitration (ipso-nitration) when X = Cl, and dibromination of cinnamic acids, with X = Br, under mild conditions. The reactions are safe and simple, affording the corresponding products (E)-β-nitrostyrenes, and anti-2,3-dibromo-3-phenylpropanoic acids in high yields with high selectivity in a relatively short time. Use of hazardous and toxic nitrating systems such as acetyl nitrate and brominating agents such as molecular bromine can be avoided.  相似文献   

10.
An air-stable hypervalent organoantimony (III) triflate complex (PhN(CH2C6H4)2SbOSO2CF3) having intramolecular N  Sb coordination was synthesized and characterized by techniques such as 1H NMR, 13C NMR, TG-DSC, X-ray diffraction and elemental analysis. The complex shows relatively strong Lewis acidity (0.8 < Ho  3.3). It exhibits excellent catalytic performance towards the allylation of aldehydes with tetraallyltin at room temperature, and shows good thermal stability and recyclability. The catalytic system enables convenient and efficient synthesis of homoallylic alcohols.  相似文献   

11.
An Aza-Wittig reaction of 1,1′-bis(triphenylphosphoranylidenamino)-ferrocene with 3-isocyanato-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-1-oxyl and subsequent intramolecular [2+2]-cycloaddition of the bis(carbodiimide) intermediate was used for the synthesis of a 1,3-diazetidine-2,4-diimine moiety bearing two radical groups and bridging the cyclopentadienyl (Cp) rings. According to single-crystal X-ray data, the planar 2,4-diimino-1,3-diazetidine moiety adopts a perpendicular orientation with respect to the eclipsed Cp rings. One of the radical groups lies almost within the plane of the four-membered 1,3-diazetidine ring, while the other has a conformationally preferred orientation with dihedral angles ±62.3°. The two Cp rings are constricted by the 1,3-diazetidine-2,4-diimine moiety so that the angle between their planes is 11.0°. The synthesized diradical contains ferrocene and nitroxide redox signaling units that can be oxidized step-by-step at E1/2 = 0.26 and 0.48 V (vs Fc/Fc+), respectively. Electron spin resonance spectroscopy revealed a moderate exchange interaction (|J|  aN) between the two nitroxide radical moieties and the following values of zero-field splitting parameters: ∣D∣ = 3.5 mT and E/D = 0 were obtained. These data were in agreement with density functional theory calculations. The newly developed approach to multispin systems may be interesting for the construction of weakly coupled rigid polyradicals for quantum technologies, the molecular design of magnets, and the creation of ferrocene-based electron-paramagnetic-resonance–active chemical sensors.  相似文献   

12.
One cis clerodane-type (1) and three highly oxygenated labdane-type diterpenes (2-4) were isolated from the aerial parts of Leonurus macranthus. Compound 1 represents the first example of cis clerodane-type diterpene in the plants of Leonurus genus.  相似文献   

13.
In this review we examine the influence of the line tension τ on droplets and particles at surfaces. The line tension influences the nucleation behavior and contact angle of liquid droplets at both liquid and solid surfaces and alters the attachment energetics of solid particles to liquid surfaces. Many factors, occurring over a wide range of length scales, contribute to the line tension. On atomic scales, atomic rearrangements and reorientations of submolecular components give rise to an atomic line tension contribution τatom (~1 nN), which depends on the similarity/dissimilarity of the droplet/particle surface composition compared with the surface upon which it resides. At nanometer length scales, an integration over the van der Waals interfacial potential gives rise to a mesoscale contribution |τvdW|  1–100 pN while, at millimeter length scales, the gravitational potential provides a gravitational contribution τgrav  +1–10 μN. τgrav is always positive, whereas, τvdW can have either sign. Near wetting, for very small contact angle droplets, a negative line tension may give rise to a contact line instability. We examine these and other issues in this review.  相似文献   

14.
We designed bisnitroxide compounds where the radical sites are located close to each other in a molecule. Two new pincer-type bisnitroxide compounds have been synthesized, involving xanthene-4,5-diyl as a spacer and tert-butyl phenyl nitroxides as arms. From the X-ray crystal structure analysis, the shortest intramolecular interatomic N?O and O?O distances respectively are 5.074(6) and 5.258(6) Å for the m,m′-derivative and 3.624(3) and 3.771(3) Å for the p,p′-derivative. The N?O distance in the latter satisfies the empirical criterion for possible dimerization/degradation reaction accompanied by dia-/paramagnetic transition. However, the magnetic study clarified paramagnetic behavior in all the temperature range. According to a singlet-triplet model, antiferromagnetic couplings were characterized with 2J/kB = ?7.71(2) and ?8.83(4) K for the m,m′ and p,p′-derivatives, respectively. The present result suggests that a more flexible spacer is required for realization of possible dia-/paramagnetic transition.  相似文献   

15.
Predominant monoacylation of 1,n-linear disulfonamides took place in the presence of pyrrolidinopyridine-type organocatalysts when the chain length of the linear disulfonamides was n = 3, 4, or 5 (monoacylate/diacylate = up to 44). The chemoselectivity of the competitive acylation between N,N′-ditosyl-1,5-pentanediamine (n = 5) and N,N′-ditosyl-1,3-propanediamine (n = 3) was found to be 36, favoring the former substrate. Different chain length by only one carbon atom was discriminated in the competitive acylation between N,N′-ditosyl-1,5-pentanediamine (n = 5) and of N,N′-ditosyl-1,4-butanediamine (n = 4) with the relative acylation rate of 16 in the presence of the organocatalyst.  相似文献   

16.
Carrier diffusion and recombination kinetics in all-inorganic CsPbI3 perovskite microcrystals directly synthesized in solution phase are reported.  相似文献   

17.
Transition metal complexes of trimesic acid and hydrazine mixed-ligands with a general formula M(Htma)(N2H4)2, where, M = Mn, Co, Ni, Cu and Zn; H3tma = trimesic acid, have been prepared and characterized by elemental, structural, spectral and thermal analyses. For the complexes, the carboxylate νasym and νsym stretchings are observed at about 1626 and 1367 cm?1 respectively, with Δν between them of ~260 cm?1, showing the unidentate coordination of each carboxylate group. The hydrazine moieties are present as bridging bidentates. Electronic and EPR spectral studies suggest an octahedral geometry for the complexes. All these complexes show three steps of decomposition in TGA/DTA. SEM images of CuO and MnO residues obtained from the complexes show nano-sized clusters suggesting that the complexes may be used as precursors for nano-CuO and nano-MnO preparation. The antimicrobial activities of the prepared complexes, against four bacteria have been evaluated.  相似文献   

18.
Self-assembled supramolecular lanthanide constructs have great potential in luminescent bioprobes/sensors. Stereoselectivity on the lanthanide assemblies is needed to facilitate chiroptical probes and sensors. Herein we report the stereocontrolled synthesis of M2L3-type (M = metal ion, L = organic ligand) lanthanide triple-helicates using a chiral-induction strategy, where the periphery point-chirality [(R,R) or (S,S)] of the organic ligands was transferred into the metal centered chirality (ΔΔ or ΛΛ), thus leading to the formation of topological chiral (P or M) helicates. Moreover, commercially available Δ-TRISPHAT proved to be an effective NMR chiral resolving agent to differentiate between the two enantiomers of the helicate.  相似文献   

19.
In this review, oxygen activation and their aerobic oxidation over the Au nanoclusters are presented. The size-specificity, ligand engineering, and doping effects and the proposed reactions’ mechanism and the structure-activity relationships at the atomic level are also discussed.  相似文献   

20.
The chemical investigation of the antimalarial plant Phyllanthus fraternus G. L. Webster (Phyllanthaceae) resulted in the discovery of the Securinega alkaloid (+)-allonorsecurinine (1), previously reported as a synthetic compound, together with the known ent-norsecurinine (2), nirurine (3), bubbialine (4), epibubbialine (5) and the lignan phyllanthin (6). The structure and absolute configuration of the new compound were elucidated on the basis of extensive spectroscopic analysis, optical rotation, and GIAO NMR shift calculation followed by CP3 analysis. The antiplasmodial activity of these compounds was evaluated against chloroquine-resistant (W2) and -sensitive (3D7) strains of Plasmodium falciparum. Among them, ent-norsecurinine (2) and (+)-allonorsecurinine (1) showed the strongest activity (IC50: 1.14 ± 0.32 and 2.57 ± 0.53 µM) respectively, against W2 but one of the weakest against 3D7.  相似文献   

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