نتایج جستجو برای: electronic rearrangement
تعداد نتایج: 252431 فیلتر نتایج به سال:
The corresponding author of this article contacted the journal shortly after the authors’ accepted version of the manuscript was posted online, regarding potential issues with a number of the figures in this paper. Specifically, the first author (M.M.F.) admitted to manipulating some of the data shown in Figs 5, 7, 8 and 9. The existence of potential issues with data in the paper was noted in a...
The relative contributions of external and intracrystalline acidic sites of small pore H-RHO zeolite for the selective synthesis of methylamines from methanol and ammonia have been studied. Nonselective surface reactions which produce predominantly trimethylamine can be eliminated by "capping" the external acidic sites with trimethylphosphite (TMP) and other reagents, thus improving the selecti...
The rearrangement of allyl a-bromoacetates with Zn dust is known as the Reformatsky-Claisen rearrangement. Whereas the Ireland-Claisen rearrangement has been widely used in the synthesis of a diverse range of natural products, the Zn-mediated Reformatsky-Claisen rearrangement has not been utilized so often. In this article, we will provide an overview of recent advances in the Reformatsky-Clais...
Nickel-based oxides are highly active, cost-effective materials for the oxygen evolution reaction in alkaline conditions. Recent experimental studies have revealed importance of surface deprotonation and alkali metal cation adsorption on activity Ni oxide surfaces, contact with aqueous electrolyte. As a first step to elucidate role activity, we performed first-principles electronic structure ca...
Substituted naphthofurans and naphthopyrans were constructed at high temperature from allyl or propargyl naphthyl ethers via Claisen rearrangement in moderate to good yields. Also, substituted (trimethylsilyl)-naphthofurans were synthesized from the corresponding naphtofurans.
We define a new rearrangement, called rearrangement by tamping, for non-negative measurable functions defined on R+. This has many properties in common with the well-known Schwarz non-increasing such as Pólya–Szegő inequality. Contrary to tamping also preserves homogeneous Dirichlet boundary condition of function.
Nanocarbon-based conducting fibres have been produced using solution- or dry-spinning techniques. Highly conductive polymer-composite fibres containing large amounts of conducting nanomaterials have not been produced without dispersants, however, because of the severe aggregation of conducting materials in high-concentration colloidal solutions. Here we show that highly conductive (electrical c...
This paper provides a first-principles theoretical investigation of the polytopal rearrangements and fluxional behavior of five-coordinate d-transition metal complexes. Our work is primarily based on a potential energy surface analysis of the iron tetracarbonyl hydride radical HFec(CO)4. We demonstrate the existence of distorted coordination geometries in this prototypical system and, for the f...
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