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2023

Metallic–Organic Cages (MOCs) with Heterometallic Character: Flexibility-Enhancing MOFs

Authors: Sergio Posada-Pérez, Jordi Poater, Naeimeh Bahri-Laleh, Albert Poater

Catalysts, 2023, 13, 2, 317

DOI: 10.3390/catal13020317

Keywords: Aromaticity, Computational chemistry, Nanocages, Non-covalent interactions, Supramolecular chemistry

γ-graphynes with extended polyyne chains for efficient photoinduced electron transfer in complexes with fullerenes

Authors: O.A. Stasyuk, A.A. Voityuk, M. Solà, A.J. Stasyuk

Carbon, 2023, 215, 118460

DOI: 10.1016/j.carbon.2023.118460

Keywords: Electron and energy transfer, Excited states, Non-covalent interactions, Photovoltaic materials, Supramolecular chemistry

γ-graphyne: A promising electron acceptor for organic photovoltaics

Authors: O.A. Stasyuk, A.J. Stasyuk, M. Solà, A.A. Voityuk

Materials & Design, 2023, 225, 111526

DOI: 10.1016/j.matdes.2022.111526

Keywords: Electron and energy transfer, Excited states, Supramolecular chemistry

Aromaticity controls the excited-state properties of host–guest complexes of nanohoops

Authors: G. George, O. A. Stasyuk, A. A. Voityuk, A. J. Stasyuk, M. Solà

Nanoscale, 2023, 15, 3, 1221-1229

DOI: 10.1039/d2nr04037a

Keywords: Aromaticity, Electron and energy transfer, Excited states, Fullerenes, Supramolecular chemistry

A step towards rational design of carbon nanobelts with tunable electronic properties

Authors: G. George, O. A. Stasyuk, M. Solà, A. J. Stasyuk

Nanoscale, 2023, 15, 43, 17373-17385

DOI: 10.1039/d3nr04045c

Keywords: Aromaticity, Electron and energy transfer, Excited states, Photovoltaic materials, Supramolecular chemistry

Self-organization of metallo-supramolecular polymer networks by free formation of pyridine–phenanthroline heteroleptic complexes

Authors: Mostafa Ahmadi, Cora Sprenger, Gerard Pareras, Albert Poater, Sebastian Seiffert

Soft Matter, 2023, 19, 42, 8112-8123

DOI: 10.1039/d3sm01136d

Keywords: Chemical bonding, Computational chemistry, Supramolecular chemistry

Intermolecular hydrogen bonding in calix[5]arene derived cavitands regulates the molecular recognition of fullerenes

Authors: Rubén Álvarez-Yebra, Alba Sors-Vendrell, Agustí Lledó

Chemical Communications, 2023, 59, 77, 11556-11559

DOI: 10.1039/d3cc03780k

Keywords: Confined space, Nanocages, Non-covalent interactions, Photovoltaic materials, Supramolecular chemistry

Site-selective methylene C–H oxidation of an alkyl diamine enabled by supramolecular recognition using a bioinspired manganese catalyst

Authors: Arnau Vicens, Laia Vicens, Giorgio Olivo, Osvaldo Lanzalunga, Stefano Di Stefano, Miquel Costas

Faraday Discussions, 2023, 244, 51-61

DOI: 10.1039/d2fd00177b

Keywords: Catalysis, Oxidation, Reaction mechanisms, Supramolecular chemistry, Sustainable catalysis

2022

The Hunter Falls Prey: Photoinduced Oxidation of C60 in Inclusion Complex with Perfluorocycloparaphenylene

Authors: Olga A. Stasyuk, Anton J. Stasyuk, Miquel Solà, Alexander A. Voityuk

ChemPhysChem, 2022, 23, 16

DOI: 10.1002/cphc.202200226

Keywords: Electron and energy transfer, Fullerenes, Photochemistry, Photovoltaic materials, Supramolecular chemistry

Regioselective access to orthogonal Diels-Alder C60 bis-adducts and tris-heteroadducts via supramolecular mask strategy

Authors: Míriam Pujals, Tània Pèlachs, Carles Fuertes-Espinosa, Teodor Parella, Marc Garcia-Borràs, Xavi Ribas

Cell Reports Physical Science, 2022, 3, 8, 100992

DOI: 10.1016/j.xcrp.2022.100992

Keywords: Confined space, Fullerenes, Nanocages, Predictive Chemistry, Supramolecular chemistry

Free-Radical Photopolymerization for Curing Products for Refinish Coatings Market

Authors: Aina Ribas-Massonis, Magalí Cicujano, Josep Duran, Emili Besalú, Albert Poater

Polymers, 2022, 14, 14, 2856

DOI: 10.3390/polym14142856

Keywords: Catalysis, Photocatalysis, Photochemistry, Reaction mechanisms, Supramolecular chemistry

pH-Responsive Gelation in Metallo-Supramolecular Polymers Based on the Protic Pyridinedicarboxamide Ligand

Authors: Mostafa Ahmadi, Farhad Panahi, Naeimeh Bahri-Laleh, Mohammad Sabzi, Gerard Pareras, Bruno N. Falcone, Albert Poater

Chemistry of Materials, 2022, 34, 13, 6155-6169

DOI: 10.1021/acs.chemmater.2c01346

Keywords: Chemical bonding, Computational chemistry, Joint Exp-Comp, Non-covalent interactions, Supramolecular chemistry

Successive Diels–Alder Cycloadditions of Cyclopentadiene to [10]CPP⊃C60: A Computational Study

Authors: Gerard Pareras, Sílvia Simon, Albert Poater, Miquel Solà

The Journal of Organic Chemistry, 2022, 87, 8, 5149-5157

DOI: 10.1021/acs.joc.1c03116

Keywords: Cycloaddition, Fullerenes, Reaction mechanisms, Supramolecular chemistry

Initiating Electron Transfer in Doubly Curved Nanographene Upon Supramolecular Complexation of C60

Authors: Simon Zank, Jesús M. Fernández‐García, Anton J. Stasyuk, Alexander A. Voityuk, Marcel Krug, Miquel Solà, Dirk M. Guldi, Nazario Martín

Angewandte Chemie International Edition, 2022, 61, 7

DOI: 10.1002/anie.202112834

Keywords: Chemical bonding, Electron and energy transfer, Excited states, Fullerenes, Supramolecular chemistry

Remote Amino Acid Recognition Enables Effective Hydrogen Peroxide Activation at a Manganese Oxidation Catalyst

Authors: Laia Vicens, Giorgio Olivo, Miquel Costas

Angewandte Chemie International Edition, 2022, 61, 7

DOI: 10.1002/anie.202114932

Keywords: Catalysis, Oxidation, Reaction mechanisms, Supramolecular chemistry, Sustainable catalysis

Lubricant hydrogenation over a functionalized clay‐based Pd catalyst: A combined computational and experimental study

Authors: Zahra Asadi, Samahe Sadjadi, Mehdi Nekoomanesh‐Haghighi, Sergio Posada‐Pérez, Miquel Solà, Naeimeh Bahri‐Laleh, Albert Poater

Applied Organometallic Chemistry, 2022, 36, 10

DOI: 10.1002/aoc.6850

Keywords: Chemical bonding, Computational chemistry, Organometallics, Reaction mechanisms, Supramolecular chemistry

Infrared Spectra of Hydrogen-Bonded Molecular Complexes Under Spatial Confinement

Authors: Marta Chołuj, Josep M. Luis, Wojciech Bartkowiak, Robert Zaleśny

Frontiers in Chemistry, 2022, 9

DOI: 10.3389/fchem.2021.801426

Keywords: Ab initio theory, Computational chemistry, Confined space, Spectroscopy, Supramolecular chemistry

Nitrogen-doped molecular bowls as electron donors in photoinduced electron transfer reactions

Authors: O. A. Stasyuk, A. J. Stasyuk, M. Solà, A. A. Voityuk

Nanoscale Advances, 2022, 4, 9, 2180-2188

DOI: 10.1039/d2na00150k

Keywords: Electron and energy transfer, Excited states, Fullerenes, Photovoltaic materials, Supramolecular chemistry

Supramolecular nanocapsules as two-fold stabilizers of outer-cavity sub-nanometric Ru NPs and inner-cavity ultra-small Ru clusters

Authors: Ernest Ubasart, Irene Mustieles Marin, Juan Manuel Asensio, Gabriel Mencia, Ángela M. López-Vinasco, Cristina García-Simón, Iker del Rosal, Romuald Poteau, Bruno Chaudret, Xavi Ribas

Nanoscale Horizons, 2022, 7, 6, 607-615

DOI: 10.1039/d1nh00677k

Keywords: Catalysis, Confined space, Nanocages, Supramolecular chemistry

2021

Comprehensive Characterization of the Self‐Folding Cavitand Dynamics

Authors: Ricard López‐Coll, Rubén Álvarez‐Yebra, Ferran Feixas, Agustí Lledó

Chemistry – A European Journal, 2021, 27, 39, 10099-10106

DOI: 10.1002/chem.202100563

Keywords: Computational chemistry, Confined space, Nanocages, Supramolecular chemistry

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