نتایج جستجو برای: hydrogen atom transfer
تعداد نتایج: 464074 فیلتر نتایج به سال:
The cascade rearrangement of chiral enediynes 1c-e, involving successively 1,3-proton shift, Saito-Myers cyclization, 1,5-hydrogen atom transfer, and intramolecular coupling of the resulting biradical, proceeded at 80 °C to form tri- and tetracyclic heterocycles possessing a quaternary stereogenic center with a very high level of memory of chirality.
The electronic nature of low-barrier hydrogen bonds (LBHBs) in enzymatic reactions is discussed based on combined low temperature neutron and x-ray diffraction experiments and on high level ab initio calculations by using the model substrate benzoylacetone. This molecule has a LBHB, as the intramolecular hydrogen bond is described by a double-well potential with a small barrier for hydrogen tra...
Abstract The hydroalkylation of nitroalkenes and β‐nitroacrylates via a photocatalytic strategy has been optimised under both batch continuous flow conditions. This target achieved by exploiting the potentialities decatungstate anion as versatile hydrogen atom transfer (HAT) photocatalyst for generation alkyl radicals from aliphatic heterocycles, amides cycloalkanes. magnified image
Using molecular dynamics (MD) simulations, the spectroscopy and dynamics of malonaldehyde is investigated. To this end, the recently proposed molecular mechanics with proton transfer (MMPT) potential is generalized to nonlinear hydrogen bonds. The calculated properties for malonaldehyde in both gas and condensed phases, including equilibrium geometries, infrared spectra, tunneling splittings, a...
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