RT Journal Article T1 Chemoselectivity on the synthesis of iridacycles: A theoretical and experimental study A1 Pereira Cameselle, Raquel A1 Peña Gallego, Maria De Los Angeles A1 Cid Seara, Krystal Mar A1 Alonso Gómez, José Lorenzo A1 Talavera Nevado, María A1 Bolaño García, Sandra K1 2303.21 Compuestos Organometálicos AB The selective synthesis of a spirobifluorene-iridacyclopentadiene complex has been achieved through the corresponding methoxyalkenylcarbeneiridium complex. The chemoselectivity of the Csingle bondH bond activation over the precursor has been studied via DFT calculations on the relative energies of the E and Z isomers of several examples and compared with experimental results. The data suggest that the steric effect of the substituents has more influence than their electronic character on the structure of the resulting iridacycle compounds. PB Inorganica Chimica Acta SN 00201693 YR 2021 FD 2021-03-01 LK http://hdl.handle.net/11093/7434 UL http://hdl.handle.net/11093/7434 LA eng NO Inorganica Chimica Acta, 517, 120189 (2021) NO Xunta de Galicia | Ref. ED431F 2016/005 DS Investigo RD 24-mar-2025