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Results: 1461

Roman Gajda, Albert Poater, Artur Brotons-Rufes, Sebastian Planer, Krzysztof Woźniak, Karol Grela, Anna Kajetanowicz, JohnArthur Joule
Aminomethylpyridinequinones as new ligands for PEPPSI-type complexes
[], 2021, 2021, 138-156
DOI: 10.24820/ark.5550190.p011.451
Keywords: Catalysis, Chemical bonding, Computational chemistry, Cross-coupling reactions, Organometallics

Silvia D’Agostini, Konstantin G. Kottrup, Carla Casadevall, Ilaria Gamba, Valeria Dantignana, Alberto Bucci, Miquel Costas, Julio Lloret-Fillol, Dennis G.H. Hetterscheid
Electrocatalytic Water Oxidation with α-[Fe(mcp)(OTf)₂ ] and Analogues
ACS Catal., 2021, 11, 2583-2595
DOI: 10.1021/acscatal.0c05439
Keywords: Catalysis, High-valent metal complexes, Oxidation, Reaction mechanisms, Sustainable Catalysis

Eduard Masferrer-Rius, Margarida Borrell, Martin Lutz, Miquel Costas, RobertusJ.M. Klein Gebbink
Aromatic C−H Hydroxylation Reactions with Hydrogen Peroxide Catalyzed by Bulky Manganese Complexes
Adv. Synth. Catal., 2021, [], ASAP-
DOI: 10.1002/adsc.202001590
Keywords: Catalysis, High-valent metal complexes, Oxidation, Reaction mechanisms, Sustainable Catalysis

Diego Marcelo Andrada, Pedro Salvador, Eva Vos, Inés Corral
Beyond the Classical Electron‐Sharing and Dative Bond Picture: The Case of Spin‐Polarized Bond
Angew. Chem. Int. Ed., 2021, 60, 1498-1502
DOI: 10.1002/anie.202010948
Keywords: Chemical bonding, Computational chemistry, Real-space analysis

Sílvia Escayola, Claire Tonnelé, Eduard Matito, Albert Poater, Henrik Ottosson, Miquel Solà, David Casanova
Guidelines for Tuning the Excited State Hückel–Baird Hybrid Aromatic Character of Pro‐Aromatic Quinoidal Compounds
Angew. Chem. Int. Ed., 2021, [], ASAP-
DOI: 10.1002/anie.202100261
Keywords: Aromaticity, Chemical bonding, Electron delocalization, Excited states

Ahad Hanifpour, Naeimeh Bahri-Laleh, Mehdi Nekoomanesh-Haghighi, Albert Poater
1‐Decene oligomerization by new complexes bearing diamine‐diphenolates ligands: Effect of ligand structure
Appl Organomet Chem, 2021, [], ASAP-
DOI: 10.1002/aoc.6227
Keywords: Catalysis, Cross-coupling reactions, Density Functional Theory, Organometallics, Reaction mechanisms

Barbara Ticconi, Giorgio Capocasa, Andrea Cerrato, Stefano Di Stefano, Andrea Lapi, Beatrice Marincioni, Giorgio Olivo, Osvaldo Lanzalunga
Insight into the chemoselective aromaticvs. side-chain hydroxylation of alkylaromatics with H₂ O₂ catalyzed by a non-heme imine-based iron complex
Catal. Sci. Technol., 2021, 11, 171-178
DOI: 10.1039/D0CY01868F
Keywords: Catalysis

Sílvia Escayola, Albert Poater, Alvaro Muñoz-Castro, Miquel Solà
An unprecedented π-electronic circuit involving an odd number of carbon atoms in a grossly warped non-planar nanographene
Chem. Commun., 2021, 57, 3087-3090
DOI: 10.1039/D1CC00593F
Keywords: Aromaticity, Chemical bonding, Electron delocalization, Supramolecular chemistry

Dandan Chen, DariuszW. Szczepanik, Jun Zhu, Alvaro Muñoz-Castro, Miquel Solà
Aromaticity Survival in Hydrofullerenes: The Case of C66H4 with its π‐Aromatic Circuits
Chem. Eur. J., 2021, 27, 802-808
DOI: 10.1002/chem.202004322
Keywords: Aromaticity, Chemical bonding, Electron delocalization, Fullerenes

Weixuan Zeng, Ouissam El Bakouri, Dariusz Szczepanik, Hugo Bronstein, Henrik Ottosson
Excited State Character of Cibalackrot-Type Compounds Interpreted in Terms of Hückel-Aromaticity: A Rationale for Singlet Fission Chromophore Design
Chem. Sci., 2021, [], ASAP-
DOI: 10.1039/D1SC00382H
Keywords: Aromaticity, Chemical bonding, Electron delocalization, Excited states