Results: 11
Gibu George, Anton J. Stasyuk, Miquel Solà
Reactivity of the superhalogen/superalkali ion encapsulating C60 fullerenes
Dalton Trans., 2022, 51, 203-210
DOI: 10.1039/D1DT03577KKeywords: Chemical bonding, Cycloaddition, Electron and energy transfer, Endohedral fullerenes, Photovoltaic materials
Olga A. Stasyuk, Antony J. Stasyuk, Miquel Solà, Alexander A. Voityuk
[10]CPP‐based inclusion complexes of charged fulleropyrrolidines. Effect of the charge location on the photoinduced electron transfer
Chem. Eur. J., 2021, 27, 8737-8744
DOI: 10.1002/chem.202005516Keywords: Electron and energy transfer, Endohedral fullerenes, Excited states, Fullerenes, Photovoltaic materials
Pau Besalú-Sala, Josep M. Luis, Miquel Solà
Bingel‐Hirsch Addition of Diethyl Bromomalonate to Ion‐Encapsulated Fullerene M@C60 (M = Ø, Li+, Na+, K+, Mg+2, Ca+2, and Cl‐)
Chem. Eur. J., 2020, 26, 14481-14487
DOI: 10.1002/chem.202003208Keywords: Computational chemistry, Cycloaddition, Endohedral fullerenes, Fullerenes, Reaction mechanisms
Olesya Semivrazhskaya, Safwan Aroua, Maxim Yulikov, Adrian Romero-Rivera, Steven Stevenson, Marc Garcia-Borràs, Sílvia Osuna, Yoko Yamakoshi
Regioselective Synthesis and Characterization of Tris- and Tetra-Prato Adducts of M3 N@C80 (M = Y, Gd)
J. Am. Chem. Soc., 2020, 142, 12954-12965
DOI: 10.1021/jacs.9b13768Keywords: Computational chemistry, Density Functional Theory, Endohedral fullerenes
J. Pablo Martínez, Miquel Solà
Open-Circuit Voltage of Organic Photovoltaics: A Time-Dependent and Unrestricted DFT Study in a P3HT/PCBM Complex
J. Phys. Chem. A, 2020, 124, 1300-1305
DOI: 10.1021/acs.jpca.9b10097Keywords: Density Functional Theory, Electron and energy transfer, Endohedral fullerenes, Excited states, Photovoltaic materials
Marta Izquierdo, Benedikt Platzer, Anton J. Stasyuk, Olga A. Stasyuk, Alexander A. Voityuk, Sergio Cuesta, Miquel Solà, Dirk M. Guldi, Nazario Martín
All-Fullerene Electron Donor-Acceptor Conjugates
Angew. Chem. Int. Ed., 2019, 58, 6932-6937
DOI: 10.1002/anie.201901863Keywords: Cycloaddition, Electron and energy transfer, Endohedral fullerenes, Excited states, Fullerenes
Carles Fuertes, Jesse Murillo, MarcoE. Soto, Roser Morales-Martínez, Antonio Rodriguez-Fortea, JosepM. Poblet, Luis Echegoyen, Xavi Ribas
Highly selective encapsulation and purification of U-based C78 -EMFs within a supramolecular nanocapsule
Nanoscale, 2019, 11, 23035-23041
DOI: 10.1039/C9NR07660CKeywords: Confined space, Endohedral fullerenes, Fullerenes, Nanocages, Supramolecular chemistry
Carles Fuertes-Espinosa, Alejandra Gómez-Torres, Roser Morales-Martínez, Antonio Rodríguez-Fortea, Cristina García-Simón, Felipe Gándara, Inhar Imaz, Judith Juanhuix, Daniel Maspoch, Josep M. Poblet, Luis Echegoyen, Xavi Ribas
Purification of Uranium-based Endohedral Metallofullerenes (EMFs) by Selective Supramolecular Encapsulation and Release
Angew. Chem. Int. Ed., 2018, 57, 11294-11299
DOI: 10.1002/anie.201806140Keywords: Endohedral fullerenes, Fullerenes, Nanocages, Supramolecular chemistry
Anton J. Stasyuk, Miquel Solà, Alexander A. Voityuk
Reliable charge assessment on encapsulated fragment for endohedral systems
Sci. Rep., 2018, SR 8, Article Number 2882
DOI: 10.1038/s41598-018-21240-0Keywords: Chemical bonding, Density Functional Theory, Endohedral fullerenes, Nanocages
Sara Vidal, Marta Izquierdo, Shamim Alom, Marc Garcia-Borràs, Salvatore Filippone, Sílvia Osuna, Miquel Solà, Richard J. Whitby, Nazario Martín
Effect of incarcerated HF on the exohedral chemical reactivity of HF@C60
Chem. Commun., 2017, 10993-10996 , 53
DOI: 10.1039/C7CC05987FKeywords: Computational chemistry, Confined space, Cycloaddition, Density Functional Theory, Endohedral fullerenes