Searching for double σ- and π-aromaticity in borazine derivatives

Ricardo Pino-Rios, Alejandro Vásquez-Espinal, Osvaldo Yañez and William Tiznado

RSC Adv., 2020, 10, 29705
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Unexpected structural preference with metallophilic Ag–Au contacts in silver(i)-N-heterocyclic carbene cluster; experimental and theoretical approach

Priyanka Sahu, Narayan Ch. Jana, Sahadev Barik, Hemanta K. Kisan, Avtar Changotra, Anvarhusein A. Isab and Joydev Dinda

Dalton Trans., 2024, 53, 1099
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On the NICS limitations to predict local and global current pathways in polycyclic systems

Diego Inostroza, Victor García, Osvaldo Yañez, Juan J. Torres-Vega, Alejandro Vásquez-Espinal, Ricardo Pino-Rios, Rodrigo Báez-Grez and William Tiznado

New J. Chem., 2021, 45, 8345
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Aromatic ouroboroi: heterocycles involving a σ-donor–acceptor bond and 4n + 2 π-electrons

Rodrigo Báez-Grez, Diego Inostroza, Victor García, Alejandro Vásquez-Espinal, Kelling J. Donald and William Tiznado

Phys. Chem. Chem. Phys., 2020, 22, 1826
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D 4h H©K4H4−: a planar tetracoordinate hydrogen global minimum

Li-Xia Bai, Yan-Xia Jin and Jin-Chang Guo

Chem. Commun., 2024, 60, 6300
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Carbon rings decorated with group 14 elements: new aromatic clusters containing planar tetracoordinate carbon

Osvaldo Yañez, Alejandro Vásquez-Espinal, Rodrigo Báez-Grez, Walter A. Rabanal-León, Edison Osorio, Lina Ruiz and William Tiznado

New J. Chem., 2019, 43, 6781
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Effects of benzoheterocyclic annelation on the s-indacene core: a computational analysis

Gabrielle I. Warren, Katarzyna Młodzikowska-Pieńko, Said Jalife, Isabella S. Demachkie, Judy I. Wu, Michael M. Haley and Renana Gershoni-Poranne

Chem. Sci., 2025, 16, 575
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Exploration of the potential energy surface in mixed Zintl clusters applying an automatic Johnson polyhedra generator: the case of arachno E6M24− (E = Si, Ge, Sn; M = Sb, Bi)

Rodrigo Báez-Grez, Diego Inostroza, Alejandro Vásquez-Espinal, Rafael Islas and Ricardo Pino-Rios

RSC Adv., 2023, 13, 24499
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Does induced current density explain the C–H and C–F Perlin effects?

Francisco A. Martins, Felipe C. Pires, Elaine F. F. da Cunha and Matheus P. Freitas

Phys. Chem. Chem. Phys., 2019, 21, 18622
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Bond-alternated and bond-equalized hexazine derivatives

Kunnumma Chelladath Krishnapriya, Ashith Thayyil, Mithu Kumari and Priyakumari Chakkingal Parambil

Phys. Chem. Chem. Phys., 2024, 26, 3569
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The hidden aromaticity in borazine

Rodrigo Báez-Grez and Ricardo Pino-Rios

RSC Adv., 2022, 12, 7906
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Magnetically-induced current density investigation in carbohelicenes and azahelicenes

Emna Cherni, Benoît Champagne, Sameh Ayadi and Vincent Liégeois

Phys. Chem. Chem. Phys., 2019, 21, 14678
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The pseudo-π model of the induced magnetic field: fast and accurate visualization of shielding and deshielding cones in planar conjugated hydrocarbons and spherical fullerenes

Nickolas D. Charistos, Alvaro Muñoz-Castro and Michael P. Sigalas

Phys. Chem. Chem. Phys., 2019, 21, 6150
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Borataalkene or boratabenzene? Understanding the aromaticity of 9-borataphenanthrene anions and its central ring

Rodrigo Báez-Grez and Ricardo Pino-Rios

New J. Chem., 2020, 44, 18069
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Simple and efficient visualization of aromaticity: bond currents calculated from NICS values

Eno Paenurk and Renana Gershoni-Poranne

Phys. Chem. Chem. Phys., 2022, 24, 8631
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Metal–ligand ring aromaticity in a 2D coordination polymer used as a photosensitive electronic device

Faruk Ahmed, Sourav Ranjan Ghosh, Soumi Halder, Surajit Guin, Seikh Mafiz Alam, Partha Pratim Ray, Atish Dipankar Jana and Mohammad Hedayetullah Mir

New J. Chem., 2019, 43, 2710
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Microhydration of small protonated polyaromatic hydrocarbons: a first principles study

Muthuramalingam Prakash, K. Rudharachari Maiyelvaganan, N. Giri Lakshman, C. Gopalakrishnan and Majdi Hochlaf

Phys. Chem. Chem. Phys., 2024, 26, 17489
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Acenes and phenacenes in their lowest-lying triplet states. Does kinked remain more stable than straight?

Ricardo Pino-Rios, Rodrigo Báez-Grez and Miquel Solà

Phys. Chem. Chem. Phys., 2021, 23, 13574
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Resonance-assisted intramolecular triel bonds

Na Liu, Qingzhong Li, Steve Scheiner and Xiaoying Xie

Phys. Chem. Chem. Phys., 2022, 24, 15015
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Calculation of magnetic response properties of tetrazines

Mesías Orozco-Ic, Christian A. Celaya and Dage Sundholm

RSC Adv., 2020, 10, 18124
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Relating nucleus independent chemical shifts with integrated current density strengths

Slavko Radenković and Slađana Đorđević

Phys. Chem. Chem. Phys., 2021, 23, 11240
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Is azulene's local aromaticity and relative stability driven by the Glidewell–Lloyd rule?

Rodrigo Báez-Grez and Ricardo Pino Rios

Phys. Chem. Chem. Phys., 2024, 26, 12162
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Alkene insertion reactivity of a o-carboranyl-substituted 9-borafluorene

Tobias Bischof, Xueying Guo, Ivo Krummenacher, Lukas Beßler, Zhenyang Lin, Maik Finze and Holger Braunschweig

Chem. Sci., 2022, 13, 7492
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Relativistic effects on the aromaticity of E3M3H3 (E = C–Pb; M = N–Bi) benzene analogues

Ricardo Pino-Rios, Alejandro Vásquez-Espinal, Luis Alvarez-Thon and William Tiznado

Phys. Chem. Chem. Phys., 2020, 22, 22973
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Aromatic nature of neutral and dianionic 1,4-diaza-2,3,5,6-tetraborinine derivatives

Kei Ota and Rei Kinjo

RSC Adv., 2021, 11, 592
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Unraveling the stability of cyclobutadiene complexes using aromaticity markers

Gaurab Ganguly, Shubhrodeep Pathak and Ankan Paul

Phys. Chem. Chem. Phys., 2021, 23, 16005
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Current vortices in aromatic carbon molecules

Thomas Stegmann, John A. Franco-Villafañe, Yenni P. Ortiz, Michael Deffner, Carmen Herrmann, Ulrich Kuhl, Fabrice Mortessagne, Francois Leyvraz and Thomas H. Seligman

Phys. Rev. B, 2020, 102
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Aromaticity of six-membered nitro energetic compounds through molecular electrostatic potential, magnetic, electronic delocalization and reactivity-based indices

Samir Kenouche, Nassima Bachir, Wissam Bouchal and Jorge I. Martínez-Araya

Journal of Molecular Graphics and Modelling, 2024, 129, 108728
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Theoretical Prediction of the Smallest Sized Tricyclic-Boron Oxide B6O62+

Wen-Juan Tian, Jing-Jing Wang and Hui-Li Chen

J Clust Sci, 2024, 35, 2747
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Understanding Aromaticity in [5]Helicene-Bridged Cyclophanes: A Comprehensive Study

Mesías Orozco-Ic, Luis Soriano-Agueda, Sílvia Escayola, Dage Sundholm, Gabriel Merino and Eduard Matito

J. Org. Chem., 2024, 89, 2459
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Assessment of New Expanded Porpholactones as UV/Vis/NIR Chromophores for Dye-Sensitized Solar Cell Applications

Ricardo Pino-Rios, Nicolás Montenegro-Pohlhammer and Gloria Cárdenas-Jirón

J. Phys. Chem. A, 2021, 125, 2267
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Cyclazines‐Structure and Aromaticity or Antiaromaticity on the Magnetic Criterion

Erich Kleinpeter and Andreas Koch

Eur J Org Chem, 2022, 2022
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Aromaticity Concepts Derived from Experiments

Halina Szatylowicz, Paweł A. Wieczorkiewicz and Tadeusz M. Krygowski

Sci, 2022, 4, 24
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Quest for the Most Aromatic Pathway in Charged Expanded Porphyrins

Irene Casademont‐Reig, Tatiana Woller, Victor García, Julia Contreras‐García, William Tiznado, Miquel Torrent‐Sucarrat, Eduard Matito and Mercedes Alonso

Chemistry A European J, 2023, 29
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P-Protected Diphosphadibenzo[a,e]pentalenes and Their Mono- and Dicationic P-Bridged Ladder Stilbenes

Patrick Federmann, Hannah K. Wagner, Patrick W. Antoni, Jean-Marc Mörsdorf, José Luis Pérez Lustres, Hubert Wadepohl, Marcus Motzkus and Joachim Ballmann

Org. Lett., 2019, 21, 2033
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Analysis of Local and Global Aromaticity in Si3C5 and Si4C8 Clusters. Aromatic Species Containing Planar Tetracoordinate Carbon

Juan J. Torres-Vega, Diego R. Alcoba, Ofelia B. Oña, Alejandro Vásquez-Espinal, Rodrigo Báez-Grez, Luis Lain, Alicia Torre, Víctor García and William Tiznado

Chemistry, 2021, 3, 1101
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Theoretical Investigation of Geometries and Bonding of Indium Hydrides in the In2Hx and In3Hy (x = 0–4,6; y = 0–5) Series

Anton S. Pozdeev, Pavel Rublev, Steve Scheiner and Alexander I. Boldyrev

Molecules, 2022, 28, 183
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The Relative Stability of Indole Isomers Is a Consequence of the Glidewell-Lloyd Rule

Ricardo Pino-Rios and Miquel Solà

J. Phys. Chem. A, 2021, 125, 230
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Nucleus Independent Chemical Shift (NICS) at Small Distances from the Molecular Plane: The Effect of Electron Density

Amnon Stanger

ChemPhysChem, 2023, 24
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Si6C18: A bispentalene derivative with two planar tetracoordinate carbons

Diego Inostroza, Luis Leyva‐Parra, Osvaldo Yañez, J. César Cruz, Jorge Garza, Víctor García, Venkatesan S. Thimmakondu, Maria L. Ceron and William Tiznado

Int J of Quantum Chemistry, 2023, 123
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Interpreting Ring Currents from Hückel-Guided σ- and π-Electron Delocalization in Small Boron Rings

Dumer S. Sacanamboy, Williams García-Argote, Rodolfo Pumachagua-Huertas, Carlos Cárdenas, Luis Leyva-Parra, Lina Ruiz and William Tiznado

Molecules, 2025, 30, 3566
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DFT of Homometallic TM2Bn− (TM = Ni, Cu, Zn; n = 5, 7) Clusters: Bonding, Aromaticity, and Fluxionality

Ai‐Qian Li, Hui‐Fang Li, Jun Ren, Ya‐Jun Huang, Zhou‐Yang Li, Jia‐Ming Zhang, Wen‐Hai Wu, Ai‐Qing Li and Huai‐Qian Wang

Advcd Theory and Sims, 2026, 9
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Zinc phthalocyanine absorbance in the near-infrared with application for transparent and colorless dye-sensitized solar cells

Thibaut Baron, Ximena Zarate, Yoan Hidalgo-Rosa, Michael Zambrano-Angulo, Kevin Mall-Haidaraly, Ricardo Pino-Rios, Yann Pellegrin, Fabrice Odobel and Gloria Cárdenas-Jirón

Comptes Rendus. Chimie, 2021, 24, 157
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Interpreting Aromaticity and Antiaromaticity through Bifurcation Analysis of the Induced Magnetic Field

Ricardo Pino‐Rios, Gloria Cárdenas‐Jirón, Lina Ruiz and William Tiznado

ChemistryOpen, 2019, 8, 321
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Predicting bond-currents in polybenzenoid hydrocarbons with an additivity scheme

Eno Paenurk, Stefan Feusi and Renana Gershoni-Poranne

The Journal of Chemical Physics, 2021, 154
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Miscellaneous Passerini Reaction for α-Acyloxy Carboxamide: Synthesis and Process Optimization Study

Amita J. Jivani, Khushal M. Kapadiya and Ranjan C. Khunt

LOC, 2022, 19, 326
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A computational study of planar tetracoordinated carbon species CAl4X5 (X = Te, Po) with One X–X Bond

Ya-Xuan Cheng, Mesías Orozco-Ic and Jin-Chang Guo

Journal of Molecular Structure, 2025, 1334, 141827
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Predicting a New Δ‐Proton Sponge‐Base of 4,12‐Dihydrogen‐4,8,12‐triazatriangulene through Proton Affinity, Aromatic Stabilization Energy, and Aromatic Magnetism

Muntadar A. H. Al‐Yassiri and Ralph Puchta

ChemPhysChem, 2023, 24
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Quantitative analysis of aromaticity in azines by means of dissected descriptors based on the magnetic criteria

Rodrigo Báez-Grez, Lily Arrué and Ricardo Pino-Rios

Chemical Physics Letters, 2021, 781, 138973
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Disclosure of Ground‐State Zimmerman‐Möbius Aromaticity in the Radical Anion of [6]Helicene and Evidence for 4π Periodic Aromatic Ring Currents in a Molecular “Metallic” Möbius Strip

Michael Mauksch and Svetlana B. Tsogoeva

Chemistry A European J, 2021, 27, 14660
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Doping and electronic properties of Au5-xMx (M=Ag or Cu; x = 0 to 5) nanoclusters

Jyoti Yadav and Sangeeta Saini

Journal of the Indian Chemical Society, 2026, 103, 102525
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Deciphering the origin of the first steps in the degradation of azo dyes: a computational study

Ricardo Pino-Rios, Eduardo Pino and Gloria Cárdenas-Jirón

Environ Sci Pollut Res, 2023, 31, 657
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Intramolecular Amino-thiolysis Cyclization of Graphene Oxide Modified with Sulfur Dioxide: XPS and Solid-State NMR Studies

Eduardo Humeres, Abil E. Aliev, Alessandra Smaniotto, Rafael Brognoli, Nito Angelo Debacher, Regina de F. P. M. Moreira, J. Arturo Santaballa and Moisés Canle

J. Phys. Chem. C, 2022, 126, 1729
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On the aromaticity and stability of benzynes in the ground and lowest‐lying triplet excited states

Rodrigo Báez‐Grez and Ricardo Pino‐Rios

J Comput Chem, 2024, 45, 6
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Electronic Transmutation Concept: Is the Inverse Process Possible? An Evaluation of Main Group Compounds

Rodrigo Báez-Grez, Osvaldo Yáñez and Ricardo Pino-Rios

ACS Omega, 2023, 8, 2880
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The curious case of S4N4 − A reinvestigation

Muntadar A.H. Al-Yassiri and Ralph Puchta

Computational and Theoretical Chemistry, 2024, 1240, 114828
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Effect of the meso/beta halogenation in the photoelectronic properties and aromaticity of expanded porphyrins

Ricardo Pino-Rios and Gloria Cárdenas-Jirón

Journal of Photochemistry and Photobiology A: Chemistry, 2019, 385, 112052
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Study on the global and local aromaticity of BN-Substituted naphthalene analogues

Tursunjan Aydan and Ablikim Kerim

Computational and Theoretical Chemistry, 2025, 1244, 115080
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On the Aromaticity in Cyclic H‐Bonded Chains: Linking HOMIA Descriptor to Molecular Properties

Murillo H. Queiroz, Suelen A. Santos, Tiago V. Alves and Roberto Rivelino

ChemistrySelect, 2026, 11
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Assessing the Aromaticity of Fluorinated Benzene Derivatives Using New Descriptors Based on the Distributed Multipole Analysis (DMA) Partition of the Electron Density

Nathália M. P. Rosa, Matheus Máximo‐Canadas and Itamar Borges

J of Physical Organic Chem, 2025, 38
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Is the tetrakis[2.1.1]bicyclohexano‐cycloocta‐1,3,5,7‐tetraene a good model for the D4h‐1,3,5,7‐cyclooctatetraene?

Amnon Stanger

J of Physical Organic Chem, 2019, 32
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Unlocking Heteroaromatic Ring Systems through Chalcogen Insertion into Boroles

Tobias Bischof, Nele Wieprecht, Sonja Fuchs, Lukas Endres, Ivo Krummenacher, Maximilian Michel, Cornelius Mihm, Holger Braunschweig and Maik Finze

Inorg. Chem., 2023, 62, 21329
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Decomposition Mechanism of 5,5′-Bis(tetrazole)-1,1′-diolate(TKX-50) Anion Initiated by Intramolecular Oxygen Transfer

Shengxiang Zhao, Ying Zhao, Xiaoling Xing and Xuehai Ju

Chem. Res. Chin. Univ., 2019, 35, 485
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Synthesis of a highly aromatic and planar dehydro [10]annulene derivative

Karnjit Parmar, Christa S. Blaquiere, Brianna E. Lukan, Sydnie N. Gengler and Michel Gravel

Nat. Synth, 2022, 1, 696
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Reply to: [{Th(C8H8)Cl2}3]2− is stable but not aromatic

Josef T. Boronski, John A. Seed, David Hunger, Adam W. Woodward, Joris van Slageren, Ashley J. Wooles, Louise S. Natrajan, Nikolas Kaltsoyannis and Stephen T. Liddle

Nature, 2022, 603, E21
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Tubular Magnetic Shielding Scan (TMSS): A New Technique for Molecular Space Exploration. (i) The Case of Aromaticity of Benzene and [n]Paracyclophanes

Muntadar A. H. Al-Yassiri

J. Phys. Chem. A, 2023, 127, 6614
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