WebOct 22, 2015 · The dispersion-corrected density functional theory (M06-2X) was adopted to investigate the kinetically driven Bingel–Hirsch and thermodynamically controlled … WebNov 4, 2015 · The dispersion-corrected density functional theory (M06-2X) was adopted to investigate the kinetically driven Bingel–Hirsch and thermodynamically controlled Prato reactions on Sc2@C2v(4059)-C66 which possesses the unconventional unsaturated linear triquinanes (ULTs), respectively. The mechanism differences of these two reactions on …
Nucleophilic Addition to Fullerenes - Diamond Films - Texas …
WebFeb 19, 2013 · Fuller control: The Bingel–Hirsch addition on nitride endohedral metallofullerenes has been thoroughly analyzed by using DFT methodology, including solvent effects.Structures that satisfy the isolated pentagon rule (IPR)- and non-IPR structures are both predicted to have analogous reaction paths leading to [6,6] open … WebJul 16, 2024 · The Bingel–Hirsch reaction mechanism for neutral fullerenes has been well established (Scheme 3). The reaction was initiated by the nucleophilic addition of … henry county job fair 2019
Bingel–Hirsch Addition of Diethyl Bromomalonate to …
WebJan 30, 2024 · Cyclopropanation reactions between C 60 and different malonates decorated with monosaccharides and steroids using the Bingel‐Hirsch methodology have allowed the obtention of a new family of hybrid compounds in good yields. A complete set of instrumental techniques has allowed us to fully characterize the hybrid derivatives and to … WebJul 28, 2024 · Herein, the Bingel–Hirsch (BH) addition of ethyl bromomalonate over a series of ion-encapsulated [email protected]60(M=Ø, Li+, Na+, K+, Mg2+, Ca2+, and Cl−; Ø@C60stands for C60without any endohedral metal) is quantum mechanically explored to analyze the effect of these ions on the BH addition. WebThe Bingel−Hirsch reactions on non-isolated pentagon rule (non-IPR) Gd3N@C2n (2n = 82, 84) are studied. Computational results show that the two metallofullerenes display … henry county job and family services