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• W2895055807 abstract "A well-established oxidative addition of organic halides (R-X) to N-heterocyclic carbene (NHC) complexes of palladium(0) leads to formation of (NHC)(R)PdII (X)L species, the key intermediates in a large variety of synthetically useful cross-coupling reactions. Typical consideration of the cross-coupling catalytic cycle is based on the assumption of intrinsic stability of these species, where the subsequent steps involve coordination of the second reacting partner. Thus, high stability of the intermediate (NHC)(R)PdII (X)L species is usually taken for granted. In the present study it is discussed that such intermediates are prone to non-classical R-NHC intramolecular coupling process (R = Me, Ph, Vinyl, Ethynyl) that results in removal of NHC ligand and generation of another type of Pd catalytic system. DFT calculations (BP86, TPSS, PBE1PBE, B3LYP, M06, wB97X-D) clearly show that outcome of R-NHC coupling process is not only determined by chemical nature of the organic substituent R, but also strongly depends on the type of solvent. The reaction is most favorable in polar solvents, whereas the non-polar solvents render the products less stable. © 2019 Wiley Periodicals, Inc." @default.
• W2895055807 created "2018-10-12" @default.
• W2895055807 creator A5029774717 @default.
• W2895055807 creator A5053135866 @default.
• W2895055807 date "2018-10-03" @default.
• W2895055807 modified "2023-10-16" @default.
• W2895055807 title "Switching the nature of catalytic centers in Pd/NHC systems by solvent effect driven non-classical R-NHC Coupling" @default.
• W2895055807 cites W1848687515 @default.
• W2895055807 cites W1965985009 @default.
• W2895055807 cites W1967562292 @default.
• W2895055807 cites W1971275758 @default.
• W2895055807 cites W1975170017 @default.
• W2895055807 cites W1975708211 @default.
• W2895055807 cites W1978661179 @default.
• W2895055807 cites W1979945615 @default.
• W2895055807 cites W1981368803 @default.
• W2895055807 cites W1987406066 @default.
• W2895055807 cites W1989474099 @default.
• W2895055807 cites W1991312972 @default.
• W2895055807 cites W1992996188 @default.
• W2895055807 cites W1997440217 @default.
• W2895055807 cites W2002142325 @default.
• W2895055807 cites W2003555872 @default.
• W2895055807 cites W2005227604 @default.
• W2895055807 cites W2005486618 @default.
• W2895055807 cites W2006787866 @default.
• W2895055807 cites W2008423326 @default.
• W2895055807 cites W2009990000 @default.
• W2895055807 cites W2011215428 @default.
• W2895055807 cites W2015723183 @default.
• W2895055807 cites W2017404957 @default.
• W2895055807 cites W2018190636 @default.
• W2895055807 cites W2023271753 @default.
• W2895055807 cites W2026555347 @default.
• W2895055807 cites W2030687437 @default.
• W2895055807 cites W2030699693 @default.
• W2895055807 cites W2032719166 @default.
• W2895055807 cites W2034023714 @default.
• W2895055807 cites W2034836312 @default.
• W2895055807 cites W2040107276 @default.
• W2895055807 cites W2040369881 @default.
• W2895055807 cites W2042067439 @default.
• W2895055807 cites W2043068345 @default.
• W2895055807 cites W2043327592 @default.
• W2895055807 cites W2045444868 @default.
• W2895055807 cites W2045620216 @default.
• W2895055807 cites W2047204014 @default.
• W2895055807 cites W2048843811 @default.
• W2895055807 cites W2057506449 @default.
• W2895055807 cites W2062297849 @default.
• W2895055807 cites W2065561546 @default.
• W2895055807 cites W2066875030 @default.
• W2895055807 cites W2070978645 @default.
• W2895055807 cites W2071325709 @default.
• W2895055807 cites W2085336624 @default.
• W2895055807 cites W2086003792 @default.
• W2895055807 cites W2086957099 @default.
• W2895055807 cites W2089021470 @default.
• W2895055807 cites W2089489360 @default.
• W2895055807 cites W2090628041 @default.
• W2895055807 cites W2092860296 @default.
• W2895055807 cites W2093080718 @default.
• W2895055807 cites W2093352578 @default.
• W2895055807 cites W2093567155 @default.
• W2895055807 cites W2102807619 @default.
• W2895055807 cites W2104057453 @default.
• W2895055807 cites W2112850441 @default.
• W2895055807 cites W2113348154 @default.
• W2895055807 cites W2131390233 @default.
• W2895055807 cites W2143981217 @default.
• W2895055807 cites W2145443414 @default.
• W2895055807 cites W2149978076 @default.
• W2895055807 cites W2150697053 @default.
• W2895055807 cites W2153140013 @default.
• W2895055807 cites W2153590354 @default.
• W2895055807 cites W2156475195 @default.
• W2895055807 cites W2164318957 @default.
• W2895055807 cites W2171154287 @default.
• W2895055807 cites W2301697910 @default.
• W2895055807 cites W2318489152 @default.
• W2895055807 cites W2318661426 @default.
• W2895055807 cites W2321403904 @default.
• W2895055807 cites W2492185691 @default.
• W2895055807 cites W2554932727 @default.
• W2895055807 cites W2569019573 @default.
• W2895055807 cites W2605029271 @default.
• W2895055807 cites W2743592354 @default.
• W2895055807 cites W2767416597 @default.
• W2895055807 cites W2785844295 @default.
• W2895055807 cites W2788992869 @default.
• W2895055807 cites W2791254231 @default.
• W2895055807 cites W2801561655 @default.
• W2895055807 cites W2950500239 @default.
• W2895055807 doi "https://doi.org/10.1002/jcc.25572" @default.
• W2895055807 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/30284292" @default.
• W2895055807 hasPublicationYear "2018" @default.
• W2895055807 type Work @default.
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