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• W2046352304 endingPage "3785" @default.
• W2046352304 startingPage "3779" @default.
• W2046352304 abstract "A Hammett analysis of platinum-mediated oxy-insertion into Pt–aryl bonds is performed using DFT calculations. Modeled transformations involve the conversion of cationic PtII-aryl complexes [(Xbpy)Pt(R)(OY)]+ (R = p-X-C6H4; Y = 4-X-pyridine; Xbpy = 4,4′-X-bpy; X = NO2, H, NMe2) to the corresponding [(Xbpy)Pt(OR)]+ complexes via an organometallic Baeyer–Villiger (BV) pathway. Computational modeling predicts that incorporation of an electron-deficient NO2 group at the 4-position of pyridine-N-oxide lowers the activation barrier to the organometallic BV transformation. In contrast, computational studies reveal that increasing the donor ability of the migrating aryl group, by placement of NMe2 at the para position, lowers the activation barrier to the oxy-insertion step. The impact on the calculated activation barrier is greater for variation of the R group than for modification of Y of the oxygen delivery reagent. For the p-NO2/p-NMe2-substituted aryl migrating groups (R), the ΔΔG‡ for X = NMe2 versus X = NO2 is 12 kcal/mol, which is three times larger than that calculated for the changes that occur upon substitution of NO2 and NMe2 groups (ΔΔG‡ ≈ 4 kcal/mol) at the 4-position of the pyridine group. For these PtII complexes with bipyridine (bpy) supporting ligands, the influence of modification of the bpy ligand is calculated to be minimal with ΔΔG‡ ≈ 0.4 kcal/mol for the oxy-insertion of bpy ligands substituted at the 4/4′ positions with NMe2 and NO2 groups. Overall, the predicted activation barriers for oxy-insertion (from the YO adducts [(Xbpy)Pt(R)(OY)]+) are large and in most cases are >40 kcal/mol, although some calculated ΔG‡'s are as low as 32 kcal/mol." @default.
• W2046352304 created "2016-06-24" @default.
• W2046352304 creator A5014888158 @default.
• W2046352304 creator A5017765544 @default.
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• W2046352304 date "2011-06-29" @default.
• W2046352304 modified "2023-10-11" @default.
• W2046352304 title "Non-redox Oxy-Insertion via Organometallic Baeyer–Villiger Transformations: A Computational Hammett Study of Platinum(II) Complexes" @default.
• W2046352304 cites W1502176955 @default.
• W2046352304 cites W1964066072 @default.
• W2046352304 cites W1964544316 @default.
• W2046352304 cites W1967600412 @default.
• W2046352304 cites W1970148666 @default.
• W2046352304 cites W1980290845 @default.
• W2046352304 cites W1982732047 @default.
• W2046352304 cites W1984747771 @default.
• W2046352304 cites W1986188386 @default.
• W2046352304 cites W1989538571 @default.
• W2046352304 cites W1989726972 @default.
• W2046352304 cites W1993877863 @default.
• W2046352304 cites W1994325879 @default.
• W2046352304 cites W1997277975 @default.
• W2046352304 cites W1997930571 @default.
• W2046352304 cites W1998106856 @default.
• W2046352304 cites W2002010246 @default.
• W2046352304 cites W2007352091 @default.
• W2046352304 cites W2007970047 @default.
• W2046352304 cites W2009549786 @default.
• W2046352304 cites W2012007942 @default.
• W2046352304 cites W2017508163 @default.
• W2046352304 cites W2018221646 @default.
• W2046352304 cites W2020331267 @default.
• W2046352304 cites W2023271753 @default.
• W2046352304 cites W2025701025 @default.
• W2046352304 cites W2030265175 @default.
• W2046352304 cites W2030284097 @default.
• W2046352304 cites W2032842297 @default.
• W2046352304 cites W2033883107 @default.
• W2046352304 cites W2035880819 @default.
• W2046352304 cites W2039559098 @default.
• W2046352304 cites W2039889798 @default.
• W2046352304 cites W2040299058 @default.
• W2046352304 cites W2043731669 @default.
• W2046352304 cites W2044172269 @default.
• W2046352304 cites W2046530627 @default.
• W2046352304 cites W2049477866 @default.
• W2046352304 cites W2050020713 @default.
• W2046352304 cites W2059420426 @default.
• W2046352304 cites W2066262318 @default.
• W2046352304 cites W2069503178 @default.
• W2046352304 cites W2070121792 @default.
• W2046352304 cites W2075107276 @default.
• W2046352304 cites W2076270671 @default.
• W2046352304 cites W2078126741 @default.
• W2046352304 cites W2079412209 @default.
• W2046352304 cites W2081653698 @default.
• W2046352304 cites W2085564519 @default.
• W2046352304 cites W2089891635 @default.
• W2046352304 cites W2101584728 @default.
• W2046352304 cites W2111503687 @default.
• W2046352304 cites W2111895872 @default.
• W2046352304 cites W2113086422 @default.
• W2046352304 cites W2113766199 @default.
• W2046352304 cites W2120301611 @default.
• W2046352304 cites W2122485912 @default.
• W2046352304 cites W2142694331 @default.
• W2046352304 cites W2148284063 @default.
• W2046352304 cites W2150165815 @default.
• W2046352304 cites W2154286812 @default.
• W2046352304 cites W2160790360 @default.
• W2046352304 cites W2161462598 @default.
• W2046352304 cites W2162637930 @default.
• W2046352304 cites W2333100149 @default.
• W2046352304 cites W2949285876 @default.
• W2046352304 cites W4247478930 @default.
• W2046352304 cites W4251535531 @default.
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• W2046352304 doi "https://doi.org/10.1021/om200258d" @default.
• W2046352304 hasPublicationYear "2011" @default.
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