Russian Chemical Bulletin - Quantum chemical calculations and a comparative analysis of Raman spectra of 3,4,5-triphenyl-1-propyl-1,2-diphosphole (1),... 相似文献
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
Russian Journal of General Chemistry - Some new fluoro-heterocyclic compounds containing thiazole and pyridine moities have been synthesized and studied for their antiproliferative activity.... 相似文献
The synthesis of vinyl alcohol copolymers is limited due to the poor radical reactivity of vinyl acetate (VAc), the traditional precursor to polyvinyl alcohol (PVA). Main group monomers such as BN 2-vinylnaphthalene (BN2VN) have attracted attention as alternatives to VAc to form side chain hydroxyls via oxidation, but outstanding questions of molecular weight control remain. Herein we report systematic investigation of solvent, temperature, and initiator concentration as factors influencing BN2VN degree of polymerization. We find increased chain transfer to toluene, hypothesized to arise from differences in radical stabilization and reactivity by aromatic and BN aromatic rings. As a result of these combined efforts, high molecular weight (Mw ~ 105 g mol−1) BN2VN homopolymers and BN2VN-styrene copolymers were obtained. 相似文献
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
The problem of controlling the relative position and velocity in multi-spacecraft formation flying in the planetary orbits is an enabling technology for current and future research. This paper proposes a family of tracking controllers for different dynamics of Spacecraft Formation Flying (SFF) in the framework of port-Hamiltonian (pH) systems through application of timed Interconnection and Damping Assignment Passivity-Based Control (IDA-PBC). The leader–multi-follower architecture is used to address this problem. In this regard, first we model the spacecraft motion in the pH framework in the Earth Centered Inertial frame and then transform it to the Hill frame which is a special local coordinate system. By this technique, we may present a unified structure which encompasses linear/nonlinear dynamics, with/without perturbation. Then, using the timed IDA-PBC method and the contraction analysis, a new method for controlling a family of SFF dynamics is developed. The numerical simulations show the efficiency of the approach in two different cases of missions.