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101.
Theoretical investigation of the weak interactions of rare gas atoms with silver clusters by resonance Raman spectroscopy modeling 下载免费PDF全文
The interactions of rare gas atoms (Rg = Ar, Kr, and Xe) with small neutral and cationic silver clusters have been investigated by density functional methods and the effect of these weak interactions on the resonance Raman spectra of the complexes has been evaluated. The resonance Raman technique that depends on the properties of ground and excited state, seems deeply sensitive to the weak rare gas–metal cluster interactions, and the use of inert gases has been proven to be an excellent approach to recognize the ability of this technique to detect extremely weak interactions. In this work, for , and complexes the IR, normal and resonance Raman spectra have been calculated and the effect of rare gas–cluster stretching vibration ( ) on the pattern and the relative intensities of different spectra have been investigated. The resonance Raman spectra for the weakly interacted complexes (with the interaction energies less than ?2.0 kcal/mol) exhibit the vibration with the detectable intensity that its intensity increases by going from Ag6–Ar to Ag6–Xe complex. Moreover, the resonance Raman spectra (based on the excited state gradient approximation) for high intensity nearly degenerate excited states, proved the effect of accumulation of the excited state charge density on the relative intensity of vibration. 相似文献
102.
This study aimed at polymerization of methyl methacrylate with novel catalysts in the atom transfer radical polymerization (ATRP) condition at 90 °C. This was accomplished using CuBr/N-(2-aminoethyl)-3-aminopropyltrimethoxysilane (CuBr–AEAPTMS) as a homogeneous catalyst and one time with CuBr@AEAPTMS/SBA-15 as a heterogeneous catalyst. Catalysts were characterized using TGA, FT-IR, and UV–Vis spectroscopy. The structural analysis of the polymer was carried out by 13C NMR spectroscopy and GPC. Three characteristic parts of polymer produced by ATRP method including the initiator, monomer units, and end group was shown in 13C NMR spectra. In addition, the presence of C–Br unit showed that the polymerization process is alive. The 1H NMR analysis was used for kinetic investigation of methyl methacrylate polymerization with homogeneous and heterogeneous catalysts that showed high monomer conversion (98 and 90% after 35 min, respectively) and good control of molecular weight with a dispersity (Ð = 1.5–1.7). In addition, the plot of ln ([monomer]0/[monomer] t ) versus time gave linear relationships indicating a constant concentration of the propagating species throughout the polymerization. Finally, the results of the polymerization using heterogeneous catalyst compared with homogeneous catalyst revealed that it was according to ATRP method. 相似文献
103.
Malek Taher Maghsoodlou Sayyed Mostafa Habibi-Khorassani Zahra Shahkarami Nariman Maleki Mohsen Rostamizadeh 《中国化学快报》2010,21(6):686-689
<正>2,2'-Arylmethylene bis(3-hydroxy-5,5-dimethyl-2-cyclohexene-1-one) 4l-s produced from reaction between dimedone with various aldehydes in acetonitrile using ZnO as a catalyst;whereas in the presence of ZnO-acetyl chloride catalysts the reaction is limited to give only 1,8-dioxo-octahydroxanthenes 3a-k in very good yields. 相似文献
104.
Malek T. Maghsoodlou Nourallah Hazeri Sayed M. Habibi-Khorassani Reza Heydari Ghasem Marandi Mojtaba Lashkari Khatereh Bagherpour Zahra Gharechaei 《Monatshefte für Chemie / Chemical Monthly》2010,39(5):351-356
Abstract
Synthesis of five phosphonato esters has been accomplished via reaction between dimethyl acetylenedicarboxylate and triphenyl phosphite in the presence of biological compounds such as theophylline, 4-hydroxypyrimidine, 2H-3,1-benzoxazine-2,4(1H)-dione, 2-chloroaniline, or 3-nitroaniline at ambient temperature. The configuration of the compounds was determined on the basis of coupling constants emerging from the Karplus equation. 相似文献105.
Younes Ghasemi Abdolali Mohagheghzadeh Zahra Ostovan Maryam Moshavash Sara Rasoul-Amini Mohammad Hossein Morowvat 《Chemistry of Natural Compounds》2010,46(5):734-737
Biotransformation of several monoterpene ketones, including carvone, pulegone, piperitone, menthone, and fenchone, was carried
out by the locally isolated unicellular microalgae Chlorella vulgaris. The microalgal strain was isolated during a screening program from soil samples collected from paddy-fields of Fars Province,
in the south of Iran. Chlorella vulgaris was cultured in 250 mL conical flasks, each containing 50 mL of BG-11 liquid medium and 20 μL levels of terpene substrates,
incubated at a temperature of 28±2°C and illuminated continuously with fluorescent lamps with shaking at 80 rpm. The metabolites
were identified by thin-layer chromatography and GC-MS. Chlorella vulgaris has the ability to reduce the C=C double bond of carvone to yield trans-dihydrocarvone and cis-dihydrocarvone. The cell line reduced menthone and pulegone to the same product and gave menthol. Study of Chlorella vulgaris with substrates of piperitone and fenchone showed no reaction in these substrates. Chlorella vulgaris MCCS 012 was assigned according to the 18S rRNA gene sequence. The DNA sequence of the 18S rRNA gene of Chlorella vulgaris MCCS 012 was recorded in the NCBI under the accession number EU374170. 相似文献
106.
Zahra Talebpour Mehregan Safari Fatemeh Molaabaci Ali Alizadeh Hassan Y. Aboul-Enein 《Chromatographia》2010,72(7-8):707-712
A novel poly(methyl methacrylate–ethyleneglycol dimethacrylate–acrylic acid) film has been introduced for coating on stir bars to sorptive extraction (SBSE). The effects of different contents of porogen, monomer, cross-linker, modifier and initiator during the solvent or bulk polymerization step on the mechanical property and solvent resistant of prepared sorptive stir bars were investigated. The evaluation of results were caused to obtain the four prepared sorptive stir bars with good mechanical stability and excellent resistance to organic solvents. The extraction efficiency of these prepared sorptive stir bars were investigated by liquid desorption-liquid chromatography-ultraviolet detection (LD-LC-UV) using N-Nitrosodiphenylamine as target analyte. SBSE assays showed the sorptive stir bar that prepared using solution polymerization method had the better recovery for N-Nitrosodiphenylamine in water samples. This sorptive stir bar showed good linearity and acceptable recoveries, as well as advantages such as sensitivity, simplicity, low cost and high feasibility. Based on atomic force microscopy (AFM) results, the average pore size of optimum prepared stir bar using solvent polymerization method was obtained ~9 nm. The thermal gravity (TG) and differential scanning calorimetric (DSC) results showed this polyacrylate film has high thermal stability. 相似文献
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The major objective of this work was the development of a reliable model to describe volumetric properties of ionic liquids
(ILs). In this regard, we have applied the Ihm–Song–Mason equation of state (EOS) to some phosphonium- and imidazolium-based
ILs. Three temperature-dependent parameters in the equation of state have been scaled based on the surface tension and the
liquid density at room temperature. In order to improve the predictive power of the mentioned EOS for ILs, we have proposed
using a simple modification. We have taken 1,228 experimental points to show the reliability of the improved EOS. The comparison
of predicted densities with literature data over a broad range of temperature, 293–472 K, and pressures up to 200 MPa led
to encouraging results. The average absolute deviation of calculated densities from literature values was found to be 0.75%. 相似文献