1,3-Dipolar cycloaddition of alkyl 3-nitro-and 3-bromo-3-nitroacrylates to phenyl azide gives regioisomeric alkyl 5(4)-nitro-1-phenyl-4,5-dihydro-1H-1,2,3-triazole-4(5)-carboxylates, the corresponding triazoles both with and without nitro group, and alkyl 3-nitro-1-phenylaziridine-2-carboxylates. Nitrotriazolecarboxylates were found to lose the ester moiety during chromatographic separation of the products on aluminum oxide. The structure of the products was determined on the basis of IR, 1H NMR, and X-ray diffraction data. 相似文献
Growth kinetics of anodic oxide films on tantalum in a molten eutectic mixture of lithium, sodium, and potassium nitrates was studied and the influence exerted by introduction of hydroxide and chromate ions into the nitrate mixture was considered. The basic kinetic parameters of anodic oxidation of tantalum under galvanostatic conditions were determined. 相似文献
Rare earth fluorides are mainly obtained from aqueous solutions of oxygen‐containing precursors. Probably, this method is simple and efficient, however, oxygen may partially be retained in the fluoride structure. We offer an alternative method: obtaining fluorides and solid solutions based on them from an oxygen‐free precursor. As starting materials, we choose sulfides of rare‐earth elements and solid solutions based on them. The fluorination is carried out by exposure to hydrofluoric acid of various concentrations. The transmission electron microscopy images revealed the different morphologies of the products, which depend on the concentration of the fluorinating component (HF) and the host element. The solid solution particle size varied from 30–35 nm in the case of GdF3:Yb3+, Tm3+ (4 % HF) to larger structures with dimensions exceeding 200 nm, such as that for LaF3:Yb3+, Ho3+ (40 % HF). The thermal characteristics, such as the temperatures of the transitions and melting and enthalpies, were determined for the solid solutions and simple fluorides. Applicability of the materials obtained as biological luminescent markers was tested on the example of upconversion luminescence, and good upconversion properties were detected. 相似文献
The newly discovered crystal structures of CH3(OCH2CH2)OCH3(LiCF3SO3)2, monoglyme:(LiTf)2, and CH3(OCH2CH2)3OCH3(LiCF3SO3)2, triglyme:(LiTf)2, are briefly described. The coordination of lithium cations and the CF3SO3− anions in these structures is compared with the cation and anion coordination in the crystalline phase of high molecular weight P(EO)3LiCF3SO3. Comparison is also made with the previously reported crystalline phase of CH3(OCH2CH2)2OCH3LiCF3SO3, diglyme:LiTf. A tendency to form trans-gauche-trans conformations for the bond order -O-C-C-O- is noted in adjacent ethylene oxide sequences interacting with a five-coordinate lithium ion. 相似文献
The electronic structure of the intermetallic LaNi3B as well as the novel hydride LaNi3BH3 have been theoretically investigated by means of quantum chemistry methods. We employed a mixed approach to investigate the electronic structure of these compounds: state-of-the-art energy band calculations and molecular cluster computations. We computed the energy bands and the total and partial density of states using both the linear-augmented plane waves and projector-augmented wave methods. In addition the electronic structure of three representative clusters of the local environment of Ni atoms was investigated by quantum chemistry ab initio molecular calculations. In this report, we discuss the chemical bonding and we investigated the H site occupancy energies and correlate this estimate with the occupancy fraction and metal-hydrogen distances experimentally observed. 相似文献
The thermal decomposition of 3-chloro-3-trichloromethyldizairine in carbon tetrachloride and iso-octane has been investigated over the temperature range 75–115°C. The products, tetrachloroethylene and nitrogen, are formed quantitatively by a first-order reaction which is probably unimolecular: The results yielded the following Arrhenius equations: . 相似文献
The excited 3 (3)Pi and 4 (3)Pi electronic states of the NaK molecule exhibit an avoided crossing, leading to the anomalous behavior of many features of the rovibrational energy levels belonging to each state. A joint experimental and theoretical investigation of these states has been carried out. Experimental measurements of the vibrational, rotational, and hyperfine structure of numerous levels of the 3 (3)Pi state were recently obtained using the Doppler-free, perturbation-facilitated optical-optical double resonance technique. Additional measurements for the 4 (3)Pi state as well as bound-free emission spectra from selected 3 (3)Pi, 4 (3)Pi, and mixed 3 (3)Pi to approximately 4 (3)Pi rovibrational levels are reported here. A model is also presented for calculating the mixed rovibrational level energies of the coupled 3 (3)Pi-4 (3)Pi system, starting from a 2x2 diabatic electronic Hamiltonian. The 3 (3)Pi and 4 (3)Pi potential curves and the coupling between them are simultaneously adjusted to fit the observed rovibrational levels of both states. The energy levels of the potential curves determined by the fit are in excellent agreement with experiment. The nonadiabatic coupling is sufficiently strong to cause an overall shift of 2-3 cm(-1) for many rovibrational levels as well as somewhat larger shifts for certain pairs of 3 (3)Pi to approximately 4 (3)Pi levels that would otherwise be very close together. 相似文献