Probing the structure and dynamics of the heterocyclic PAH xanthene and its water complexes with infrared and microwave spectroscopy

Donatella Loru, Wenhao Sun, Hugo Nootebos, Amanda L. Steber, Piero Ferrari and Melanie Schnell

Phys. Chem. Chem. Phys., 2024, 26, 25341
DOI: 10.1039/D4CP03030C

The hydration of an oxy-polycyclic aromatic compound: the case of naphthaldehyde

Jordan A. Claus, Celina Bermúdez, Valérie Vallet, Laurent Margulès and Manuel Goubet

Phys. Chem. Chem. Phys., 2023, 25, 23667
DOI: 10.1039/D3CP02649C

A combined theoretical and experimental study of small anthracene–water clusters

Estefania Rossich Molina, Bo Xu, Oleg Kostko, Musahid Ahmed and Tamar Stein

Phys. Chem. Chem. Phys., 2022, 24, 23106
DOI: 10.1039/D2CP02617A

Unravelling the microhydration frameworks of prototype PAH by infrared spectroscopy: naphthalene–(water)1–3

Kuntal Chatterjee, Tarun Kumar Roy, Jai Khatri, Gerhard Schwaab and Martina Havenith

Phys. Chem. Chem. Phys., 2021, 23, 14016
DOI: 10.1039/D1CP01789F

Diversity of protonated mixed pyrene–water clusters investigated by collision induced dissociation

Arya M. Nair, Héloïse Leboucher, Lorris Toucouere, Sébastien Zamith, Christine Joblin, Jean-Marc L'Hermite, Alexandre Marciniak and Aude Simon

Phys. Chem. Chem. Phys., 2024, 26, 5947
DOI: 10.1039/D3CP05734H

VUV Photoionization Dynamics and Reactivity of Heterogeneous Water Clusters

Alexander K. Lemmens, Nureshan Dias and Musahid Ahmed

J. Phys. Chem. A, 2025, 129, 8035
DOI: 10.1021/acs.jpca.5c02176

Electronic excited states of planar vs bowl-shaped polycyclic aromatic hydrocarbons in interaction with water clusters: a TD-DFT study

Nadia Ben Amor, Salimata Konate and Aude Simon

Theor Chem Acc, 2023, 142
DOI: 10.1007/s00214-023-03005-9

Water–Hydrocarbon Interactions in Anionic Pyrene Monohydrate

Natalie LeMessurier, Heinrich Salzmann, River Leversee, J. Mathias Weber and Joel D. Eaves

J. Phys. Chem. B, 2024, 128, 3200
DOI: 10.1021/acs.jpcb.3c07777

Microhydrated 3‐Methyl‐3‐oxetanemethanol: Evolution of the Hydrogen‐Bonding Network from Chains to Cubes

Wenhao Sun and Melanie Schnell

Angew Chem Int Ed, 2022, 61
DOI: 10.1002/anie.202210819

Structures and stabilities of PAH clusters solvated by water aggregates: The case of the pyrene dimer

H. Leboucher, A. Simon and M. Rapacioli

The Journal of Chemical Physics, 2023, 158
DOI: 10.1063/5.0139482

Quantum Tunneling Facilitates Water Motion across the Surface of Phenanthrene

Donatella Loru, Amanda L. Steber, Cristóbal Pérez, Daniel A. Obenchain, Berhane Temelso, Juan C. López and Melanie Schnell

J. Am. Chem. Soc., 2023, 145, 17201
DOI: 10.1021/jacs.3c04281

Flipping Kinetics of the Water Trimer on Acenaphthylene: Persistence of a Highly Dipolar ddd Configuration at Interstellar Temperatures

Murillo H. Queiroz, Tiago V. Alves, Mateus F. Venâncio and Roberto Rivelino

ACS Earth Space Chem., 2022, 6, 2282
DOI: 10.1021/acsearthspacechem.2c00143

Wetting of a Hydrophobic Surface: Far-IR Action Spectroscopy and Dynamics of Microhydrated Naphthalene

Alexander K. Lemmens, Piero Ferrari, Donatella Loru, Gayatri Batra, Amanda L. Steber, Britta Redlich, Melanie Schnell and Bruno Martinez-Haya

J. Phys. Chem. Lett., 2023, 14, 10794
DOI: 10.1021/acs.jpclett.3c02854

Microhydrated 3‐Methyl‐3‐oxetanemethanol: Evolution of the Hydrogen‐Bonding Network from Chains to Cubes

Wenhao Sun and Melanie Schnell

Angewandte Chemie, 2022, 134
DOI: 10.1002/ange.202210819

Hydrogen Bonding and Molecular Geometry in Isolated Hydrates of 2‐Ethylthiazole Characterised by Microwave Spectroscopy

Charlotte N. Cummings and Nicholas R. Walker

ChemPhysChem, 2024, 25
DOI: 10.1002/cphc.202400011

Cooperative hydrogen bonding in thiazole⋯(H2O)2 revealed by microwave spectroscopy

Eva Gougoula, Charlotte N. Cummings, Yugao Xu, Tao Lu, Gang Feng and Nicholas R. Walker

The Journal of Chemical Physics, 2023, 158
DOI: 10.1063/5.0143024

Microwave Spectrum of Two‐Top Molecule: 2‐Acetyl‐3‐Methylthiophene

Christina Dindić and Ha Vinh Lam Nguyen

ChemPhysChem, 2021, 22, 2420
DOI: 10.1002/cphc.202100514

Photoabsorption of Microhydrated Naphthalene and Its Cyano-Substituted Derivatives: Probing Prereactive Models for Photodissociation in Molecular Clouds

Murillo H. Queiroz, Tiago V. Alves and Roberto Rivelino

J. Phys. Chem. A, 2023, 127, 4317
DOI: 10.1021/acs.jpca.3c00487

Competition between Water–Water Hydrogen Bonds and Water–π Bonds in Pyrene–Water Cluster Anions

Heinrich Salzmann, Anne P. Rasmussen, Joel D. Eaves and J. Mathias Weber

J. Phys. Chem. A, 2024, 128, 2772
DOI: 10.1021/acs.jpca.4c00997

Competition between In-Plane vs Above-Plane Configurations of Water with Aromatic Molecules: Non-Covalent Interactions in 1,4-Naphthoquinone-(H2O)1–3Complexes

Shefali Baweja, Sanjana Panchagnula, M. Eugenia Sanz, Luca Evangelisti, Cristóbal Pérez, Channing West and Brooks H. Pate

J. Phys. Chem. Lett., 2022, 13, 9510
DOI: 10.1021/acs.jpclett.2c02618

The AstroPAH 10 Years of Science Review

Helgi Rafn Hrodmarsson, Isabel Aleman, Alessandra Candian, Sandra Wiersma, Julianna Palotás, David Dubois, Ameek Sidhu, Donatella Loru, Pavithraa Sundararajan, Ella Sciamma-O’Brien and Alexander G. G. M. Tielens

Space Sci Rev, 2025, 221
DOI: 10.1007/s11214-025-01161-x

Formation of Water Networks on Anionic Perylene

Heinrich Salzmann, Natalie LeMessurier, Joel D. Eaves and J. Mathias Weber

J. Phys. Chem. A, 2025, 129, 4384
DOI: 10.1021/acs.jpca.5c00569

Photochemistry of micro-solvated benzonitrile complexes with water/ammonia bordering on the formation of icy grains

Murillo H. Queiroz, Joel L. Nascimento, Tiago V. Alves and Roberto Rivelino

Chemical Physics, 2024, 582, 112293
DOI: 10.1016/j.chemphys.2024.112293

Hydrogen bonding networks and cooperativity effects in the aqueous solvation of trimethylene oxide and sulfide rings by microwave spectroscopy and computational chemistry

Weslley G. D. P. Silva and Jennifer van Wijngaarden

The Journal of Chemical Physics, 2021, 155
DOI: 10.1063/5.0056833

Microwave Spectroscopy and Structure of the 1-Fluoronaphthalene···H2O Complex: Two Hydrogen Bonds Make the Complex a Rigid Rotor

Surabhi Gupta, Charlotte N. Cummings, Nicholas R. Walker and Elangannan Arunan

J. Phys. Chem. A, 2025
DOI: 10.1021/acs.jpca.5c02931