Following excited-state chemical shifts in molecular ultrafast x-ray photoelectron spectroscopy

D Mayer, F Lever, D Picconi, J Metje… - Nature …, 2022 - nature.com
The conversion of photon energy into other energetic forms in molecules is accompanied by
charge moving on ultrafast timescales. We directly observe the charge motion at a specific …

Double Thionated Pyrimidine Nucleobases: Molecular Tools with Tunable Photoproperties

A Mohamadzade, A Nenov, M Garavelli… - Journal of the …, 2023 - ACS Publications
Sulfur-substituted nucleobases are DNA and RNA base derivatives that exhibit extremely
efficient photoinduced intersystem crossing (ISC) dynamics into the lowest-energy triplet …

Excited-state properties and relaxation pathways of selenium-substituted guanine nucleobase in aqueous solution and DNA duplex

YG Fang, D Valverde, S Mai, S Canuto… - The Journal of …, 2021 - ACS Publications
The excited-state properties and relaxation mechanisms after light irradiation of 6-
selenoguanine (6SeG) in water and in DNA have been investigated using a quantum …

A unified experimental/theoretical description of the ultrafast photophysics of single and double thionated uracils

DC Teles‐Ferreira, I Conti… - … A European Journal, 2020 - Wiley Online Library
Photoinduced processes in thiouracil derivatives have lately attracted considerable attention
due to their suitability for innovative biological and pharmacological applications. Here, sub …

Time-resolved photoelectron spectroscopy of iodide–4-thiouracil cluster: The ππ* state as a doorway for electron attachment

M Asplund, M Koga, YJ Wu… - The Journal of Chemical …, 2024 - pubs.aip.org
The photophysics of thiobases—nucleobases in which one or more oxygen atoms are
replaced with sulfur atoms—vary greatly depending on the location of sulfonation. Not only …

The impact of the chalcogen-substitution element and initial spectroscopic state on excited-state relaxation pathways in nucleobase photosensitizers: a combination of …

M Xie, S Ren, D Hu, J Zhong, J Luo, Y Tan… - Physical Chemistry …, 2023 - pubs.rsc.org
The substitution of oxygen with chalcogen in carbonyl group (s) of canonical nucleobases
gives an impressive triplet generation, enabling their promising applications in medicine and …

Ultrafast dynamics of 2-thiouracil investigated by time-resolved Auger spectroscopy

F Lever, D Mayer, D Picconi, J Metje… - Journal of Physics B …, 2020 - iopscience.iop.org
We present time-resolved ultraviolet-pump x-ray probe Auger spectra of 2-thiouracil. An
ultraviolet induced shift towards higher kinetic energies is observed in the sulfur 2p Auger …

Mechanistic photophysics of tellurium-substituted uracils: Insights from multistate complete-active-space second-order perturbation calculations

YH Zhu, XF Tang, XP Chang, TS Zhang… - The Journal of …, 2021 - ACS Publications
The photophysical mechanisms of tellurium-substituted uracils were studied at the multistate
complete-active-space second-order perturbation level with a particular focus on how the …

Selenium substitution effects on excited-state properties and photophysics of uracil: a MS-CASPT2 study

Q Peng, YH Zhu, TS Zhang, XY Liu… - Physical Chemistry …, 2020 - pubs.rsc.org
The photophysics of selenium-substituted nucleobases has attracted recent experimental
attention because they could serve as potential photosensitizers in photodynamic therapy …

The effect of methylation on the triplet-state dynamics of 2-Thiouracil: Time-resolved photoelectron spectroscopy of 2-Thiothymine

S Ullrich, Y Qu, A Mohamadzade… - The Journal of Physical …, 2022 - ACS Publications
The ultrafast internal conversion and intersystem crossing dynamics of 2-thiouracil (2TU)
and 2-thiothymine (2TT) are studied using time-resolved photoelectron spectroscopy to …