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2023

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

Reply to the ‘Comment on “The oxidation state in low-valent beryllium and magnesium compounds”’ by S. Pan and G. Frenking,Chem. Sci., 2022,13, DOI: 10.1039/D2SC04231B

Authors: Martí Gimferrer, Sergi Danés, Eva Vos, Cem B. Yildiz, Inés Corral, Anukul Jana, Pedro Salvador, Diego M. Andrada

Chemical Science, 2023, 14, 2, 384-392

DOI: 10.1039/d2sc05769g

Keywords: Chemical bonding, Electron delocalization, Real-space analysis

2022

3D and 2D aromatic units behave like oil and water in the case of benzocarborane derivatives

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

Nature Communications, 2022, 13, 1

DOI: 10.1038/s41467-022-31267-7

Keywords: Aromaticity, Chemical bonding, Cycloaddition, Electron delocalization

Aromaticity of Singlet and Triplet Boron Disk-like Clusters: A Test for Electron Counting Aromaticity Rules

Authors: Slađana Đorđević, Miquel Solà, Slavko Radenković

Inorganic Chemistry, 2022, 61, 26, 10116-10125

DOI: 10.1021/acs.inorgchem.2c01197

Keywords: Aromaticity, Chemical bonding, Electron delocalization

Aromaticity rules

Authors: Miquel Solà

Nature Chemistry, 2022, 14, 6, 585-590

DOI: 10.1038/s41557-022-00961-w

Keywords: Aromaticity, Chemical bonding, Electron delocalization

Aromaticity and Extrusion of Benzenoids Linked to [o‐COSAN]−: Clar Has the Answer

Authors: Jordi Poater, Clara Viñas, David Olid, Miquel Solà, Francesc Teixidor

Angewandte Chemie International Edition, 2022, 61, 22

DOI: 10.1002/anie.202200672

Keywords: Aromaticity, Chemical bonding, Density Functional Theory, Electron delocalization

Three-centre electron sharing indices (3c-ESIs) as a tool to differentiate among (an)agostic interactions and hydrogen bonds in transition metal complexes

Authors: Yago García-Rodeja, Ferran Feixas, Eduard Matito, Miquel Solà

Physical Chemistry Chemical Physics, 2022, 24, 48, 29333-29337

DOI: 10.1039/d2cp05221k

Keywords: Chemical bonding, Electron delocalization, Organometallics

2021

Aromaticity of nucleic acid bases

Authors: Halina Szatylowicz, Olga A. Stasyuk, Miquel Solà, Tadeusz M. Krygowski

WIREs Computational Molecular Science, 2021, 11, 4

DOI: 10.1002/wcms.1509

Keywords: Aromaticity, Chemical bonding, Electron delocalization

Guidelines for Tuning the Excited State Hückel–Baird Hybrid Aromatic Character of Pro‐Aromatic Quinoidal Compounds**

Authors: Sílvia Escayola, Claire Tonnelé, Eduard Matito, Albert Poater, Henrik Ottosson, Miquel Solà, David Casanova

Angewandte Chemie International Edition, 2021, 60, 18, 10255-10265

DOI: 10.1002/anie.202100261

Keywords: Aromaticity, Chemical bonding, Electron delocalization, Excited states

Unveiling the Electronic Structure of the Bi(+1)/Bi(+3) Redox Couple on NCN and NNN Pincer Complexes

Authors: Martí Gimferrer, Sergi Danés, Diego M. Andrada, Pedro Salvador

Inorganic Chemistry, 2021, 60, 23, 17657-17668

DOI: 10.1021/acs.inorgchem.1c02252

Keywords: Chemical bonding, Electron delocalization, Predictive Chemistry, Real-space analysis

Resonance-Assisted Hydrogen Bond—Revisiting the Original Concept in the Context of Its Criticism in the Literature

Authors: Małgorzata Domagała, Sílvia Simon, Marcin Palusiak

International Journal of Molecular Sciences, 2021, 23, 1, 233

DOI: 10.3390/ijms23010233

Keywords: Chemical bonding, Electron delocalization

Aromaticity Survival in Hydrofullerenes: The Case of C66H4 with Its π‐Aromatic Circuits

Authors: Dandan Chen, Dariusz W. Szczepanik, Jun Zhu, Alvaro Muñoz‐Castro, Miquel Solà

Chemistry – A European Journal, 2021, 27, 2, 802-808

DOI: 10.1002/chem.202004322

Keywords: Aromaticity, Chemical bonding, Electron delocalization, Fullerenes

Acenes and phenacenes in their lowest-lying triplet states. Does kinked remain more stable than straight?

Authors: Ricardo Pino-Rios, Rodrigo Báez-Grez, Miquel Solà

Physical Chemistry Chemical Physics, 2021, 23, 24, 13574-13582

DOI: 10.1039/d1cp01441b

Keywords: Aromaticity, Chemical bonding, Electron delocalization, Excited states

An unprecedented π-electronic circuit involving an odd number of carbon atoms in a grossly warped non-planar nanographene

Authors: Sílvia Escayola, Albert Poater, Alvaro Muñoz-Castro, Miquel Solà

Chemical Communications, 2021, 57, 25, 3087-3090

DOI: 10.1039/d1cc00593f

Keywords: Aromaticity, Chemical bonding, Electron delocalization, Supramolecular chemistry

2020

Too Persistent to Give Up: Aromaticity in Boron Clusters Survives Radical Structural Changes

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

Journal of the American Chemical Society, 2020, 142, 20, 9396-9407

DOI: 10.1021/jacs.0c02228

Keywords: Aromaticity, Chemical bonding, Electron delocalization, Nanocages, Organometallics

Probing the Origin of Adaptive Aromaticity in 16‐Valence‐Electron Metallapentalenes

Authors: Dandan Chen, Dariusz W. Szczepanik, Jun Zhu, Miquel Solà

Chemistry – A European Journal, 2020, 26, 57, 12964-12971

DOI: 10.1002/chem.202001830

Keywords: Aromaticity, Chemical bonding, Computational chemistry, Electron delocalization, Excited states

Cyclo[18]carbon: the smallest all-carbon electron acceptor

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

Chemical Communications, 2020, 56, 3, 352-355

DOI: 10.1039/c9cc08399e

Keywords: Density Functional Theory, Electron and energy transfer, Electron delocalization, Excited states, Photochemistry

Analysis of the electronic delocalization in some isoelectronic analogues of B12 doped with beryllium and/or carbon

Authors: Rafael Islas, Diego Inostroza, David Arias-Olivares, Bernardo Zúñiga-Gutiérrez, Jordi Poater, Miquel Solà

Physical Chemistry Chemical Physics, 2020, 22, 21, 12245-12259

DOI: 10.1039/d0cp01844a

Keywords: Aromaticity, Chemical bonding, Electron delocalization

2019

Connecting and combining rules of aromaticity. Towards a unified theory of aromaticity

Authors: Miquel Solà

WIREs Computational Molecular Science, 2019, 9, 4

DOI: 10.1002/wcms.1404

Keywords: Aromaticity, Chemical bonding, Computational chemistry, Density Functional Theory, Electron delocalization

Effect of Exocyclic Substituents and π-System Length on the Electronic Structure of Chichibabin Diradical(oid)s

Authors: Sílvia Escayola, Marc Callís, Albert Poater, Miquel Solà

ACS Omega, 2019, 4, 6, 10845-10853

DOI: 10.1021/acsomega.9b00916

Keywords: Aromaticity, Chemical bonding, Density Functional Theory, Electron delocalization, Excited states

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