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Professor Jan Verlet's Outputs (118)

The role of water molecules in the dissociation of an electron-molecule contact pair (2025)
Journal Article
Clarke, C. J., Michi Burrow, E., & Verlet, J. R. R. (2025). The role of water molecules in the dissociation of an electron-molecule contact pair. Nature Communications, 16(1), Article 2113. https://doi.org/10.1038/s41467-025-57403-7

The hydrated electron, e–(aq), is a potent reducing agent and a prototypical quantum solute. Reactions of e–(aq) often involve a contact pair comprised of a molecule and electron that are hydrated within a single sphere. However, a molecular-level un... Read More about The role of water molecules in the dissociation of an electron-molecule contact pair.

Probing photochemical dynamics using electronic vs vibrational sum-frequency spectroscopy: The case of the hydrated electron at the water/air interface. (2024)
Journal Article
Pritchard, F. G., Jordan, C. J. C., & Verlet, J. R. R. (2024). Probing photochemical dynamics using electronic vs vibrational sum-frequency spectroscopy: The case of the hydrated electron at the water/air interface. The Journal of Chemical Physics, 161(17), Article 170901. https://doi.org/10.1063/5.0235875

Photo-dynamics can proceed differently at the water/air interface compared to in the respective bulk phases. Second-order non-linear spectroscopy is capable of selectively probing the dynamics of species in such an environment. However, certain concl... Read More about Probing photochemical dynamics using electronic vs vibrational sum-frequency spectroscopy: The case of the hydrated electron at the water/air interface..

The valence electron affinity of uracil determined by anion cluster photoelectron spectroscopy (2024)
Journal Article
Clarke, C. J., Burrow, E. M., & Verlet, J. R. R. (2024). The valence electron affinity of uracil determined by anion cluster photoelectron spectroscopy . Physical Chemistry Chemical Physics, 26(29), 20037-20045. https://doi.org/10.1039/d4cp02146k

The unoccupied π* orbitals of the nucleobases are considered to play important roles in low-energy electron attachment to DNA, inducing damage. While the lowest anionic valence state is vertically unbound in all neutral nucleobases, it remains unclea... Read More about The valence electron affinity of uracil determined by anion cluster photoelectron spectroscopy .

Effect of N Atom Substitution on Electronic Resonances: A 2D Photoelectron Spectroscopic and Computational Study of Anthracene, Acridine, and Phenazine Anions (2024)
Journal Article
Slimak, S., Lietard, A., Jordan, K. D., & Verlet, J. R. R. (2024). Effect of N Atom Substitution on Electronic Resonances: A 2D Photoelectron Spectroscopic and Computational Study of Anthracene, Acridine, and Phenazine Anions. The Journal of Physical Chemistry A, 128(27), 5321-5330. https://doi.org/10.1021/acs.jpca.4c02756

The accommodation of an excess electron by polycyclic aromatic hydrocarbons (PAHs) has important chemical and technological implications ranging from molecular electronics to charge balance in interstellar molecular clouds. Here, we use two-dimension... Read More about Effect of N Atom Substitution on Electronic Resonances: A 2D Photoelectron Spectroscopic and Computational Study of Anthracene, Acridine, and Phenazine Anions.

Photoelectron spectroscopy of the deprotonated tryptophan anion: the contribution of deprotomers to its photodetachment channels (2024)
Journal Article
Gibbard, J. A., Kellow, C. S., & Verlet, J. R. R. (2024). Photoelectron spectroscopy of the deprotonated tryptophan anion: the contribution of deprotomers to its photodetachment channels. Physical Chemistry Chemical Physics, 26(15), 12053-12059. https://doi.org/10.1039/d4cp00309h

Photoelectron spectroscopy and electronic structure calculations are used to investigate the electronic structure of the deprotonated anionic form of the aromatic amino acid tryptophan, and its chromophore, indole. The photoelectron spectra of trypto... Read More about Photoelectron spectroscopy of the deprotonated tryptophan anion: the contribution of deprotomers to its photodetachment channels.

Spectroscopy and dynamics of the hydrated electron at the water/air interface (2024)
Journal Article
Jordan, C. J. C., Coons, M. P., Herbert, J. M., & Verlet, J. R. R. (2024). Spectroscopy and dynamics of the hydrated electron at the water/air interface. Nature Communications, 15(1), Article 182. https://doi.org/10.1038/s41467-023-44441-2

The hydrated electron, e–(aq), has attracted much attention as a central species in radiation chemistry. However, much less is known about e–(aq) at the water/air surface, despite its fundamental role in electron transfer processes at interfaces. Usi... Read More about Spectroscopy and dynamics of the hydrated electron at the water/air interface.

Photodissociation of permanganate (MnO 4 − ) produces the manganese dioxide anion (MnO 2 − ) in an excited triplet state (2023)
Journal Article
Gibbard, J. A., Reppel, J., & Verlet, J. R. R. (2023). Photodissociation of permanganate (MnO 4 − ) produces the manganese dioxide anion (MnO 2 − ) in an excited triplet state. Physical Chemistry Chemical Physics, 25(48), 32939-32947. https://doi.org/10.1039/d3cp04576e

Photoelectron imaging, electron action spectroscopy and electronic structure calculations are used to probe the structure and dynamics of MnO4−. Following excitation to the first bright absorption band of MnO4− (11T2), photodetachment, via ground sta... Read More about Photodissociation of permanganate (MnO 4 − ) produces the manganese dioxide anion (MnO 2 − ) in an excited triplet state.

Electron impact resonances of uracil in an aqueous environment from anion photoelectron imaging (2023)
Journal Article
Cooper, G. A., Clarke, C. J., & Verlet, J. R. R. (2023). Electron impact resonances of uracil in an aqueous environment from anion photoelectron imaging. Journal of Physics B: Atomic, Molecular and Optical Physics, 56(18), Article 185102. https://doi.org/10.1088/1361-6455/acf353

The effect that solvation has on electron attachment to uracil, U, was studied by probing the electronic resonances of the uracil radical anion, U−, in gas-phase water clusters, U−(H2O)n, using photoelectron imaging across a range of photon energies.... Read More about Electron impact resonances of uracil in an aqueous environment from anion photoelectron imaging.

Unraveling the decarboxylation dynamics of the fluorescein dianion with fragment action spectroscopy (2023)
Journal Article
Gibbard, J., & Verlet, J. (2023). Unraveling the decarboxylation dynamics of the fluorescein dianion with fragment action spectroscopy. The Journal of Chemical Physics, 158(15), Article 154306. https://doi.org/10.1063/5.0144851

The decarboxylation dynamics of the doubly deprotonated fluorescein dianion, Fl2−, are investigated by recording fragment action spectra for the anion, Fl−, and its decarboxylated analog, Fl–CO2−, using a new reflectron secondary mass spectrometer. T... Read More about Unraveling the decarboxylation dynamics of the fluorescein dianion with fragment action spectroscopy.

Low-Energy Shape Resonances of a Nucleobase in Water (2022)
Journal Article
Cooper, G. A., Clarke, C. J., & Verlet, J. R. (2022). Low-Energy Shape Resonances of a Nucleobase in Water. Journal of the American Chemical Society, 145(2), 1319-1326. https://doi.org/10.1021/jacs.2c11440

When high-energy radiation passes through aqueous material, low-energy electrons are produced which cause DNA damage. Electronic states of anionic nucleobases have been suggested as an entrance channel to capture the electron. However, identifying th... Read More about Low-Energy Shape Resonances of a Nucleobase in Water.

Allophycocyanin A is a carbon dioxide receptor in the cyanobacterial phycobilisome (2022)
Journal Article
Guillen-Garcia, A., Gibson, S., Jordan, C., Ramaswamy, V., Linthwaite, V., Bromley, E., Brown, A., Hodgson, D., Blower, T., Verlet, J., Degiacomi, M., Palsson, L.-O., & Cann, M. (2022). Allophycocyanin A is a carbon dioxide receptor in the cyanobacterial phycobilisome. Nature Communications, 13, Article 5289. https://doi.org/10.1038/s41467-022-32925-6

Light harvesting is fundamental for production of ATP and reducing equivalents for CO2 fixation during photosynthesis. However, electronic energy transfer (EET) through a photosystem can harm the photosynthetic apparatus when not balanced with CO2. H... Read More about Allophycocyanin A is a carbon dioxide receptor in the cyanobacterial phycobilisome.

Kasha’s Rule and Koopmans’ Correlations for Electron Tunnelling through Repulsive Coulomb Barriers in a Polyanion (2022)
Journal Article
Gibbard, J. A., & Verlet, J. R. (2022). Kasha’s Rule and Koopmans’ Correlations for Electron Tunnelling through Repulsive Coulomb Barriers in a Polyanion. Journal of Physical Chemistry Letters, 13(33), 7797-7801. https://doi.org/10.1021/acs.jpclett.2c02145

The long-range electronic structure of polyanions is defined by the repulsive Coulomb barrier (RCB). Excited states can decay by resonant electron tunnelling through RCBs, but such decay has not been observed for electronically excited states other t... Read More about Kasha’s Rule and Koopmans’ Correlations for Electron Tunnelling through Repulsive Coulomb Barriers in a Polyanion.

Resonances in nitrobenzene probed by the electron attachment to neutral and by the photodetachment from anion (2022)
Journal Article
Ranković, M., Nag, P., Anstöter, C. S., Mensa-Bonsu, G., Kumar T.P., R., Verlet, J. R., & Fedor, J. (2022). Resonances in nitrobenzene probed by the electron attachment to neutral and by the photodetachment from anion. The Journal of Chemical Physics, 157(6), Article 064302. https://doi.org/10.1063/5.0101358

We probe resonances (transient anions) in nitrobenzene with the focus on the electron emission from these. Experimentally, we populate resonances in two ways: either by the impact of free electrons on the neutral molecule or by the photoexcitation of... Read More about Resonances in nitrobenzene probed by the electron attachment to neutral and by the photodetachment from anion.

Photooxidation of the Phenolate Anion is Accelerated at the Water/Air Interface (2022)
Journal Article
Jordan, C. J., Lowe, E. A., & Verlet, J. R. (2022). Photooxidation of the Phenolate Anion is Accelerated at the Water/Air Interface. Journal of the American Chemical Society, 144(31), 14012-14015. https://doi.org/10.1021/jacs.2c04935

Molecular photodynamics can be dramatically affected at the water/air interface. Probing such dynamics is challenging, with product formation often probed indirectly through its interaction with interfacial water molecules using time-resolved and pha... Read More about Photooxidation of the Phenolate Anion is Accelerated at the Water/Air Interface.

Photoelectron Imaging Study of the Diplatinum Iodide Dianions [Pt2I6]2– and [Pt2I8]2– (2022)
Journal Article
Gibbard, J. A., & Verlet, J. R. (2022). Photoelectron Imaging Study of the Diplatinum Iodide Dianions [Pt2I6]2– and [Pt2I8]2–. The Journal of Physical Chemistry A, 126(22), https://doi.org/10.1021/acs.jpca.2c02008

Photoelectron spectroscopy has been used to study the electronic structure, photodetachment, and photodissociation of the stable diplatinum iodide dianions [Pt2I6]2– and [Pt2I8]2–. Photoelectron spectra over a range of photon energies show the charac... Read More about Photoelectron Imaging Study of the Diplatinum Iodide Dianions [Pt2I6]2– and [Pt2I8]2–.

Effect of Microhydration on the Temporary Anion States of Pyrene (2022)
Journal Article
Lietard, A., & Verlet, J. R. (2022). Effect of Microhydration on the Temporary Anion States of Pyrene. Journal of Physical Chemistry Letters, 13(16), 3529-3533. https://doi.org/10.1021/acs.jpclett.2c00523

The influence of incremental hydration (≤4) on the electronic resonances of the pyrene anion is studied using two-dimensional photoelectron spectroscopy. The photoexcitation energies of the resonances do not change; therefore, from the anion’s perspe... Read More about Effect of Microhydration on the Temporary Anion States of Pyrene.

Photoelectron imaging of PtI2− and its PtI− photodissociation product (2022)
Journal Article
Gibbard, J. A., & Verlet, J. R. (2022). Photoelectron imaging of PtI2− and its PtI− photodissociation product. The Journal of Chemical Physics, 156(13), https://doi.org/10.1063/5.0085610

The photoelectron imaging of PtI2− is presented over photon energies ranging from hν = 3.2 to 4.5 eV. The electron affinity of PtI2 is found to be 3.4 ± 0.1 eV, and the photoelectron spectrum contains three distinct peaks corresponding to three low-l... Read More about Photoelectron imaging of PtI2− and its PtI− photodissociation product.

Photochemistry of the pyruvate anion produces CO2, CO, CH3–, CH3, and a low energy electron (2022)
Journal Article
Clarke, C. J., Gibbard, J. A., Hutton, L., Verlet, J. R., & Curchod, B. F. (2022). Photochemistry of the pyruvate anion produces CO2, CO, CH3–, CH3, and a low energy electron. Nature Communications, 13(1), Article 937. https://doi.org/10.1038/s41467-022-28582-4

The photochemistry of pyruvic acid has attracted much scientific interest because it is believed to play critical roles in atmospheric chemistry. However, under most atmospherically relevant conditions, pyruvic acid deprotonates to form its conjugate... Read More about Photochemistry of the pyruvate anion produces CO2, CO, CH3–, CH3, and a low energy electron.