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921.
《Journal of Coordination Chemistry》2012,65(21):3764-3771
The crystal structure of [Zn2(2-pmOpe)2Cl4] (2-pmOpe?=?diethyl (pyridin-2-ylmethyl)phosphate) was determined by X-ray-diffraction method. The compound was also characterized by IR, far-IR, 1H, and 31P NMR spectroscopy. In this compound, 2-pmOpe is a bidentate N,O-bridging ligand and Zn(II) are slightly distorted tetrahedral ZnNOCl2. Zn(II) ions are doubly bridged by the 2-pmOpe ligands, resulting in a dinuclear species. The structure is stabilized by intermolecular C–H?···?O and C–H?···?Cl hydrogen bonds. The spectral properties are in agreement with the structural data. 相似文献
922.
The aim of this paper is to control the rate of convergence for central limit theorems of sojourn times of Gaussian fields in both cases: the fixed and the moving level. Our main tools are the Malliavin calculus and the Stein method, developed by Nualart, Peccati and Nourdin. We also extend some results of Berman to the multidimensional case. 相似文献
923.
Alena N. Maratkanova Rishat G. ValeevAlexander V. Syugaev 《Journal of Physics and Chemistry of Solids》2014
Surfactant-assisted ball milling of the Fe powder in paraffin has been used for fabrication of core–shell nanocrystalline particles. The local atomic structure of the bulk and surface layers of the mechanically milled particles has been studied using X-ray absorption spectroscopic techniques with synchrotron radiation from the DORIS storage ring at DESY, Hamburg. Regardless of milling environment composition, the as-prepared powders were shown to be characterized by a significant drop in the EXAFS signal intensity and coordination numbers of the Fe–Fe pairs due to the formation of nanocrystalline state in the particles. It has been shown that an addition of perfluorononanoic acid as a surfactant has a more prominent effect on the structure of the shell layers. The effect is revealed as an appearance of light element atoms (O, F, C) in the local atomic environment of the Fe atoms due to formation of oxide, carbide and adsorbed structures of different types in the particle shell. 相似文献
924.
P. Lakshmi Praveen 《Liquid crystals》2013,40(6):872-882
The substituent- and solvent-induced shifts in UV-visible absorption bands of naphthyl-ester nematic liquid crystals, viz., 4-octylphenyl-6-octyloxy-2-naphthoate (NAPHE1) and 6-octyloxy-2-naphthylyl-4-octyloxybenzoate (NAPHE2), have been investigated using the DFT, CNDO/S and INDO/S methods. A correlation has been made between molecular charge distribution and phase stability based on Mulliken, Loewdin, AM1, PM3, MNDO, CNDO/S and INDO/S methods. The observed π→π* and n→π* electronic transitions have been reported. The substituent- and solvent-induced shifts in absorption bands, transition energies and energy gaps have been discussed. The photosensitivity of the molecules has been analysed based on these shifts. It has been observed that the substituent has a dominant role on both absorption maxima and energy band gap, whereas the solvent has a dominant role only on absorption maxima, and no effect has been observed on the energy gap. These shifts may provide beneficial consequences in determining the end use of compounds. 相似文献
925.
Lars Rummel Jan M. Schümann Prof. Dr. Peter R. Schreiner 《Chemistry (Weinheim an der Bergstrasse, Germany)》2021,27(55):13699-13702
We present a computational analysis of hexaphenylethane derivatives with heavier tetrels comprising the central bond. In stark contrast to parent hexaphenylethane, the heavier tetrel derivatives can readily be prepared. In order to determine the origin of their apparent thermodynamic stability against dissociation as compared to the carbon case, we employed local energy decomposition analysis (LED) and symmetry-adapted perturbation theory (SAPT) at the DLPNO-CCSD(T)/def2-TZVP and sSAPT0/def2-TZVP levels of theory. We identified London dispersion (LD) interactions as the decisive factor for the molecular stability of heavier tetrel derivatives. This stability is made possible owing to the longer (than C−C) central bonds that move the phenyl groups out of the heavily repulsive regime so they can optimally benefit from LD interactions. 相似文献
926.
R. Kubiak T. Muller T. Maurer K. W. Eichhorn 《International journal of environmental analytical chemistry》2013,93(1-4):349-358
Abstract Comparative volatilization experiments were carried out using isoproturon and parathion-methyl sprayed on French beans in field experiments and on plant stands (0.5 m2) in the volatilization chamber developed by the SLFA Neustadt using both compounds 14C-labelled. The experimental conditions in the field experiments concerning wind speed, temperature and humidity fluctuations were simulated in the volatilization chamber. The laboratory experiment reflected the actual outdoor situation, showing only a negligible amount of volatile isoproturon directly measured in air samples, and providing no reduction of the A.I. residues in plants compared with the initial value in the corresponding field experiment. 77.2% of the parathion-methyl applied to the plants were volatilized and measured directly in air samples in the volatilization chamber while a reduction by 74.7% was found for the corresponding field experiment by residue analysis of the plants after 24 h. No details could be given concerning the nature of the evaporated portions in the field experiment. 相似文献
927.
In this paper, we demonstrate how to apply recently discovered ferromagnetic nematic liquid crystal for visualisation of magnetic fields. The material exhibits strong optical response to both external electric and magnetic fields, which gives us an opportunity to use it for the detection of an area of magnetic vector field in a way that both, the magnitude and the direction of a given field can be simultaneously measured. We discuss the physical model that describes the behaviour of ferromagnetic liquid crystal placed in a liquid crystal cell and demonstrate the method of extracting the information about an arbitrary magnetic field from the combination of magneto-optic and electro-optic response of the sample placed in that field. We have applied the principle to a special case, where magnetic field was visualised on a 2D area near a cylindrical permanent magnet. 相似文献
928.
In an attempt to generate antibodies for the development of an immunoanalysis method for potassium and caesium ions, new 1,3-alternate calix[4]arenes-crown-5 and -6 bearing either carboxylic or hydroxyl functions were synthesized in good yields. Their complexation properties towards potassium and caesium ions were investigated using 1H NMR spectroscopy and the usual properties proved to be preserved in the presence of the anchoring arms. 相似文献
929.
We prove the existence of stationary turbulent flows with arbitrary positive vortex circulation on non-simply connected domains. Our construction yields solutions for all real values of the inverse temperature with the exception of a quantized set, for which blow-up phenomena may occur. Our results complete the analysis initiated in Ricciardi and Zecca (2016). 相似文献
930.
A new metal complex[MnL2](NO3)2·CH3CN(1) was synthesized by reaction of 4’-4-(l,2,4-triazol-l-yl)phenyl -2,2’:6’,2"-terpyridine(L) with manganese nitrate.The structure of the complex was determined by X-ray crystallography.The results of UV-vis studies showed that the complex exhibits colorimetric sensing ability for Fe3+,which can be observed by naked eye. 相似文献