2026-04-18T06:03:58Zhttps://recercat.cat/oai/request

oai:recercat.cat:10256/248032024-06-18T13:59:18Zcom_2072_452955com_2072_2054col_2072_453073

00925njm 22002777a 4500 dc Castanyer, Cristina author Pla i Quintana, Anna author Roglans i Ribas, Anna author Artigas Ruf, Albert author Solà i Puig, Miquel author 2024-02-13 The regioselective functionalization of fullerenes holds significant promise for applications in the field of medicinal chemistry, material science and photovoltaics. In this study, we investigate the regioselectivity of the rhodium(I)-catalyzed [2+2+2] cycloaddition reaction between diynes and C70 as a novel procedure for generating C70 bis(fulleroid) derivatives. The aim is to shed light on the regioselectivity of the process through both experimental and computational approaches. In addition, the photooxidation of one of the C=C double bonds in the synthesised bis(fulleroids) afford open-cage C70 derivatives having a 12-membered ring opening We are grateful for the financial support from the Ministerio de Ciencia e Innovación and EU (Project PID2020-113711GB-I00 MCIN/AEI/10.13039/50110001103, FPI predoctoral grant to C.C. and Margarita Salas grant (NextGenerationEU) to A.A.) and the Generalitat de Catalunya (Project 2021-SGR-623) http://hdl.handle.net/10256/24803 Ciclització (Química) Ful·lerens Rodi Ring formation (Chemistry) Fullerenes Rhodium Reaccions químiques regioselectives Funcional de densitat, Teoria del Density functionals Unveiling the regioselectivity of rhodium(I)-catalyzed [2 + 2 + 2] cycloaddition reactions for open-cage C70 production