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11.
A. Lashgari S. Ghammamy R. Ramirez-Tagle G. Salgado-Moran 《Journal of Structural Chemistry》2015,56(8):1505-1513
Two new compounds of fluorine: (C2H5)4N[I2F] and (C2H5)4N[Br2F], have been easily synthesized in a nearly quantitative by a direct reaction of (C2H5)4NF, I2 and Br2. The products were isolated and characterized by elemental analysis and spectroscopic methods such as: Fourier transform infrared spectroscopy (FTIR) and ultraviolet-visible spectroscopy (UV-Vis). These compounds have been studied computationally with the Scalar ZORA relativistic level of theory using the ADF program package. The molecular parameters, and vibrational spectra were calculated. The excitation energies were found by timedependent perturbation density functional theory (TD-DFT). Molecule optimization, frequencies and excitation energies were calculated with standard Slatertype-orbital (STO) basis sets with triple-zeta quality double plus polarization functions (TZ2P) for all atoms. The FTIR, UV-Vis spectra and assignment of principal transitions and total density of state (TDOS) were extracted using the GaussSum 2.2 program. The comparison between experimental and calculated values showes that the experimental results correlate well with the predicted data. 相似文献
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Reactions of Aryl Benzoates with Potassium Aryloxides: Solvent Effects on Reaction Pathway and Kinetics 下载免费PDF全文
Irina A. Khalfina 《国际化学动力学杂志》2015,47(5):302-314
Temperature dependences of the relative reactivity of potassium aryloxides XC6H4O?K+ toward 2,4‐dinitrophenyl benzoate in 50 mol% dimethylformamide (DMF)–50 mol% H2O mixture have been studied using the competitive reactions technique. Correlation analyses of the relative rate constants kX/kH and differences in the activation parameters (ΔΔН≠ and ΔΔS≠) of the competitive reactions have revealed the existence of two isokinetic series of the reactions of 2,4‐dinitrophenyl benzoate with potassium aryloxides with electron‐donating substituent (EDS) and electron‐withdrawing substituent (EWS), respectively. We have investigated the effect of the substituent X on the activation parameters for each isokinetic series and concluded that the mechanism of the reactions of 2,4‐dinitrophenyl benzoate with potassium aryloxides XC6H4O?K+ in 50 mol% DMF–50 mol% H2O mixture is the same as in DMF. Analysis of the obtained data with using the method of two‐dimensional reaction coordinate diagram leads to the conclusion that the variation of the solvent from DMF to 50 mol% DMF–50 mol% H2O mixture affects the reaction pathway. The rate constant kX for the reaction of 3‐nitrophenyl benzoate with potassium 4‐methoxyphenoxide and the relative rate constants kX/kH for the reaction of 3‐nitrophenyl benzoate with potassium aryloxides XC6H4O?K+ with EDS were measured in 50 mol% DMF–50 mol% H2O mixtures at 25°C, and it has been shown that the addition of water to DMF does not change the mechanism but slows down these reactions. 相似文献
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Physics of Atomic Nuclei - We have studied the mechanisms influencing production of cumulative pions and protons in the fragmentation of the incident deuterons into cumulative pions and protons... 相似文献
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Robert G. W. Anderson 《Ambix》2015,62(4):333-344
Following colonisation of South America by the Spanish, many new naturally occurring substances were sent to Europe. One of these was the silvery, unreactive metal, platinum, discovered in New Grenada in the mid-eighteenth century. It was often found in granular form, associated with gold, and the challenge to chemists was to refine it, produce it as wire or sheet, and determine its chemical properties. This interested the professor of chemistry at the University of Edinburgh, Joseph Black, who was able to obtain samples from London-based Spanish contacts, particularly Ignacio Luzuriaga. This paper examines how Black transmitted his knowledge of the metal to large numbers of students attending his annual course. 相似文献
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Manjumol K. A. Jayasankar M. Vidya K. Mohamed A. Peer Nair Balagopal N. Warrier K. G. K. 《Journal of Sol-Gel Science and Technology》2015,74(1):161-167
Journal of Sol-Gel Science and Technology - High temperature stable brookite rich titanium dioxide of average crystallite size 20&;nbsp;nm has been prepared by a novel aqueous sol–gel... 相似文献