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5-Bromouracil is a nucleobase analogue that can replace thymine in DNA strands and acts as a strong radiosensitizer, with potential applications in molecular biology and cancer therapy. Here, the deactivation of 5-bromouracil after UV…
The identification of the decay pathway of the nucleobase uracil after being photoexcited by ultraviolet (UV) light has been a long standing problem. Various theoretical models have been proposed but yet to be verified. Here we propose an…
Ground- and excited-state UV photoelectron spectra of thiouracils (2-thiouracil, 4-thiouracil and 2,4-dithiouracil) have been simulated using multireference configuration interaction calculations and Dyson norms as measure for the…
In this work we investigate the relaxation processes of 2-thiouracil after UV photoexcitation to the S2 state through the use of ultrafast, single-color, pump-probe UV/UV spectroscopy. We place focus on investigating the appearance and…
The emergence of life on Earth is a highly discussed but still unsolved question. Current research underlines the importance of environments within close proximity to the Earth's surface as they can solve long-standing problems such as…
As many organic molecules, formic acid (HCOOH) has two conformers (trans and cis). The energy barrier to internal conversion from trans to cis is much higher than the thermal energy available in molecular clouds. Thus, only the most stable…
We report a study of the electronic and nuclear relaxation dynamics of the photoexcited RNA base uracil in the gas phase, using time-resolved core level photoelectron spectroscopy together with high level calculations. The dynamics was…
Radiationless deactivation channels of 2-thiocytosine in aqueous environment are revisited by means of quantum-chemical simulations of excited-state absorption spectra, and investigations of potential energy surfaces of the chromophore…
Aromaticity is a common chemical functionalities in bioactive molecules. In interstellar and circumstellar environments benzene and other small aromatics are considered the precursor for more complex prebiotic molecules and they have shown…
We combine ultrafast electron diffraction and time-resolved terahertz spectroscopy measurements to unravel the connection between structure and electronic transport properties during the photoinduced insulator-metal transitions in vanadium…
Modulating heterogeneous microstructure in room temperature ionic liquids (RTILs) by external stimuli is an important approach for understanding and designing the external field induced chemical reactions in natural and applicable systems.…
Ultrafast photoexcitation is an emerging route to selective control of phase transitions. However, it is difficult to determine which modes govern the transformation and how effectively they are targeted by photoexcitation. This is…
Conical intersections between electronic states often dictate the chemistry of photoexcited molecules. Recently developed sources of ultrashort extreme ultraviolet (XUV) pulses tuned to element-specific transitions in molecules allow for…
The photoinduced excited-state dynamics of the keto and enol forms of cytosine is investigated using ab initio surface hopping in order to understand the outcome of molecular beam femtosecond pump-probe photoionization spectroscopy…
UV photoinduced fragmentation of protonated aromatics amino acids have emerged the last few years, coming from a situation where nothing was known to what we think a good understanding of the optical properties. We will mainly focus this…
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 site in an electronically excited molecule using…
Ultraviolet (UV) radiation is common to most planetary environments, and could play a key role in the chemistry of molecules relevant to abiogenesis (prebiotic chemistry). In this work, we explore the impact of UV light on prebiotic…
The gas phase relaxation dynamics of photoexcited 5-azacytosine has been investigated by means of SHARC (surface-hopping including arbitrary couplings) molecular dynamics, based on accurate multireference electronic structure computations.…
Studying the spontaneous emission of a V-type three-level atom embedded in a photonic crystal (PC) by fractional calculus, we found that the atomic excited states in the anisotropic PC can be expressed as a superposition of four dressed…
Tandem mass spectroscopy ($\textrm{MS}^2$) combined with single photon excitation in the VUV range (photon energy 4.5-9 eV) was performed on protonated uracil ($\textrm{UraH}^{+}$) and uridine ($\textrm{UrdH}^{+}$). The precursor ions with…