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2024

Designing potentially singlet fission materials with an anti-Kasha behaviour

Authors: Ricardo Pino-Rios, Rodrigo Báez-Grez, Dariusz W. Szczepanik, Miquel Solá

Physical Chemistry Chemical Physics, 2024, 26, 21, 15386-15392

DOI: 10.1039/d4cp01284d

Keywords: Aromaticity, Chemical bonding, Excited states, Photovoltaic materials, Spin states

Aromaticity: Types, Rules, and Quantification

Authors: Miquel Solà

Comprehensive Computational Chemistry, 2024, 189-209

DOI: 10.1016/b978-0-12-821978-2.00061-1

Keywords: Aromaticity, Chemical bonding, Excited states

2023

Enhancement of Knölker Iron Catalysts for Imine Hydrogenation by Predictive Catalysis: From Calculations to Selective Experiments

Authors: Nicolas Joly, Martí Gimferrer, Sílvia Escayola, Maria Cendra, Sébastien Coufourier, Jean-François Lohier, Quentin Gaignard Gaillard, Sylvain Gaillard, Miquel Solà, Jean-Luc Renaud, Albert Poater

Organometallics, 2023, 42, 14, 1784-1792

DOI: 10.1021/acs.organomet.3c00025

Keywords: Aromaticity, Chemical bonding, Homogeneous catalysis, Joint Exp-Comp, Reaction mechanisms

Excited State Processes in Supramolecular Complexes of Cyclic Dibenzopyrrolopyrrole Isomers with C60 Fullerene

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

Chemistry – A European Journal, 2023, 29, 35

DOI: 10.1002/chem.202300503

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

Aromaticity of Osmaacenes in Their Lowest-Lying Singlet and Triplet States

Authors: Slavko Radenković, Miquel Solà

Inorganic Chemistry, 2023, 62, 24, 9578-9588

DOI: 10.1021/acs.inorgchem.3c01029

Keywords: Aromaticity, Chemical bonding, Excited states, Spin states

A Non Expected Alternative Ni(0) Species in the Ni‐Catalytic Aldehyde and Alcohol Arylation Reactions Facilitated by a 1,5‐Diaza‐3,7‐diphosphacyclooctane Ligand

Authors: Juliane Heitkämper, Sergio Posada‐Pérez, Sílvia Escayola, Miquel Solà, Johannes Kästner, Albert Poater

Chemistry – A European Journal, 2023, 29, 28

DOI: 10.1002/chem.202300193

Keywords: Aromaticity, Catalysis, Computational chemistry, Organometallics, Reaction mechanisms

Facile Construction of New Hybrid Conjugation via Boron Cage Extension

Authors: Fangxiang Sun, Shuaimin Tan, Hou-Ji Cao, Chang-sheng Lu, Deshuang Tu, Jordi Poater, Miquel Solà, Hong Yan

Journal of the American Chemical Society, 2023, 145, 6, 3577-3587

DOI: 10.1021/jacs.2c12526

Keywords: Aromaticity, Chemical bonding, Computational chemistry, Cycloaddition, Electron delocalization

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

Pioneering the Power of Twin Bonds in a Revolutionary Double Bond Formation. Unveiling the True Identity of o‐Carboryne as o‐Carborene

Authors: Jordi Poater, Clara Viñas, Sílvia Escayola, Miquel Solà, Francesc Teixidor

Chemistry – A European Journal, 2023, 29, 69

DOI: 10.1002/chem.202302448

Keywords: Aromaticity, Chemical bonding, Organometallics

The application of aromaticity and antiaromaticity to reaction mechanisms

Authors: Qin Zhu, Shuwen Chen, Dandan Chen, Lu Lin, Kui Xiao, Liang Zhao, Miquel Solà, Jun Zhu

Fundamental Research, 2023, 3, 6, 926-938

DOI: 10.1016/j.fmre.2023.04.004

Keywords: Aromaticity, Cycloaddition, Fullerenes, Reaction mechanisms

Single─Not Double─3D-Aromaticity in an Oxidized Closo Icosahedral Dodecaiodo-Dodecaborate Cluster

Authors: Jordi Poater, Sílvia Escayola, Albert Poater, Francesc Teixidor, Henrik Ottosson, Clara Viñas, Miquel Solà

Journal of the American Chemical Society, 2023, 145, 41, 22527-22538

DOI: 10.1021/jacs.3c07335

Keywords: Aromaticity, Chemical bonding, Excited states, Nanomaterials

Excited‐state aromaticity and antiaromaticity special issue

Authors: Henrik Ottosson, Bo Durbeej, Miquel Solà

Journal of Physical Organic Chemistry, 2023, 36, 1

DOI: 10.1002/poc.4468

Keywords: Aromaticity, Excited states

In the quest of Hückel–Hückel and Hückel–Baird double aromatic tropylium (tri)cation and anion derivatives

Authors: Sílvia Escayola, Nathalie Proos Vedin, Albert Poater, Henrik Ottosson, Miquel Solà

Journal of Physical Organic Chemistry, 2023, 36, 1

DOI: 10.1002/poc.4447

Keywords: Aromaticity, Chemical bonding, Excited states

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

Emerging frontiers in aromaticity

Authors: Miquel Solà, Israel Fernández, Gabriel Merino

Chemical Science, 2023, 14, 36, 9628-9629

DOI: 10.1039/d3sc90163g

Keywords: Aromaticity

Aromaticity: Quo Vadis

Authors: Gabriel Merino, Miquel Solà, Israel Fernández, Cina Foroutan-Nejad, Paolo Lazzeretti, Gernot Frenking, Harry L. Anderson, Dage Sundholm, Fernando P. Cossío, Marina A. Petrukhina, Jishan Wu, Judy I. Wu, Albeiro Restrepo

Chemical Science, 2023, 14, 21, 5569-5576

DOI: 10.1039/d2sc04998h

Keywords: Aromaticity, Chemical bonding