نتایج جستجو برای: olefin
تعداد نتایج: 2960 فیلتر نتایج به سال:
In this work, a theoretical framework is developed to explain and predict changes in the product distribution of the propene dimerization reaction, which yields a mixture of C6 olefin isomers, resulting from the use of different porous materials as catalysts. The MOF-74 class of materials has shown promise in catalyzing the dimerization of propene with high selectivity for valuable linear olefi...
Economic and powerful olefins separation is the most important technology for the energy optimisation and reduction of fossil fuel in petrochemical industry. On account of that the specific structures of olefins will make some influences on the separation, in this work, by means of density functional theory, we perform a theoretical estimation of the olefin-structure-induced effects on the reac...
Density functional theory (DFT, B3LYP-D3 with implicit solvation in toluene) was used to investigate the mechanisms of olefin hydrosilylation catalyzed by PDI(Fe) (bis(imino)pyridine iron) complexes, where PDI = 2,6-(ArN[double bond, length as m-dash]CMe)2(C5H3N) with Ar = 2,6-R2-C6H3. We find that the rate-determining step for hydrosilylation is hydride migration from Et3SiH onto the Fe-bound ...
Various macrocycles were prepared in one step by a novel ring-expansion method using olefin metathesis.
The first successful example of olefin cross-metathesis with chloroalkenes is reported.
The mechanism of hydroarylation of olefins by a homogeneous Ph-Ir(acac)(2)(L) catalyst is elucidated by first principles quantum mechanical methods (DFT), with particular emphasis on activation of the catalyst, catalytic cycle, and interpretation of experimental observations. On the basis of this mechanism, we suggest new catalysts expected to have improved activity. Initiation of the catalyst ...
We demonstrated tandem ring-opening/ring-closing metathesis (RO/RCM) polymerization of monomers containing two cyclopentene moieties and postmodification via insertion polymerization. In this system, well-defined polymers were efficiently formed by tandem cascade RO/RCM reaction pathway. Furthermore, these polymers could be transformed to new A,B-alternating copolymers via a sequential cross me...
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