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111.
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
112.
Khusnutdinov R. I. Shchadneva N. A. Mayakova Yu. Yu. Aminov R. I. 《Russian Journal of Organic Chemistry》2021,57(6):950-953
Russian Journal of Organic Chemistry - Binder-free iron- and nickel-containing micro-, meso-, and macroporous zeolites FeHY and NiHY were found to effectively catalyze Knoevenagel condensation of... 相似文献
113.
Guizellini Filipe Corrêa Franzin Bruno Trevizan da Silva Matheus Antonio Abra Luciana Mazotti Hojo Ossamu Pastre Iêda Aparecida Ribeiro Clóvis Augusto Paiva-Santos Carlos de Oliveira Fertonani Fernando Luis 《Journal of Thermal Analysis and Calorimetry》2021,143(1):47-60
Journal of Thermal Analysis and Calorimetry - The aim of this work is to synthesize and characterize a new structured silver–clay dried, calcined or sintered at different temperatures... 相似文献
114.
Colloid Journal - An Erratum to this paper has been published: https://doi.org/10.1134/S1061933X21330024 相似文献
115.
Farsi R. Mohammadi M. K. Saghanezhad S. J. 《Russian Journal of Organic Chemistry》2021,57(12):2002-2009
Russian Journal of Organic Chemistry - Herein, we report the sulfonamide-functionalized covalent organic framework (COF-SO3H), prepared by condensation of melamine and terephthalaldehyde and... 相似文献
116.
Vyacheslav V. Sentyurin Oleg A. Levitskiy Tatiana V. Magdesieva 《Current Opinion in Electrochemistry》2020
This mini-review highlights key structural features that should be taken into account when creating ambipolar redox-active closed-shell metal-free molecules. This type of compound is strongly required for the fabrication of all-organic ‘poleless’ batteries and semiconductors. The suggested strategies aimed at stabilization of both oxidized (cationic) and reduced (anionic) redox-states are based on the comprehensive analysis of the most successful structures taken from the recent publications. 相似文献
117.
Transport in Porous Media - A macroscopic model that accounts for the effect of momentum dispersion on flows in porous media is proposed. The model is based on the pore scale prevalence hypothesis... 相似文献
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