Threshold photoelectron spectroscopy of 9-methyl adenine: theory and experiment

2021 ◽  
Author(s):  
Khouloud Laamiri ◽  
Gustavo Adolfo Garcia ◽  
Laurent Nahon ◽  
Adel Ben Houria ◽  
Raimund Feifel ◽  
...  
Keyword(s):  
Gas Phase ◽  
Photoelectron Spectroscopy ◽  
Theoretical Study ◽  
Single Photon ◽  
Free Rotation ◽  
Single Photon Ionization ◽  
Photon Ionization ◽  
Theory And Experiment

We present a combined experimental and theoretical study of single-photon ionization of 9-methyl adenine (9MA) in the gas phase. In addition to tautomerism, several rotamers due to the free rotation...

scholarly journals Simulated and Experimental Time-Resolved Photoelectron Spectra of the Intersystem Crossing Dynamics in 2-Thiouracil

Molecules ◽  
2018 ◽  
Vol 23 (11) ◽  
pp. 2836 ◽  
Author(s):  
Sebastian Mai ◽  
Abed Mohamadzade ◽  
Philipp Marquetand ◽  
Leticia González ◽  
Susanne Ullrich
Keyword(s):  
Gas Phase ◽  
Single Photon ◽  
Photoelectron Spectra ◽  
Time Resolved ◽  
Single Photon Ionization ◽  
Biologically Relevant ◽  
Two Photon ◽  
Photon Ionization ◽  
Ionic States ◽  
Good Agreement

We report time-dependent photoelectron spectra recorded with a single-photon ionization setup and extensive simulations of the same spectra for the excited-state dynamics of 2-thiouracil (2TU) in the gas phase. We find that single-photon ionization produces very similar results as two-photon ionization, showing that the probe process does not have a strong influence on the measured dynamics. The good agreement between the single-photon ionization experiments and the simulations shows that the norms of Dyson orbitals allow for qualitatively describing the ionization probabilities of 2TU. This reasonable performance of Dyson norms is attributed to the particular electronic structure of 2TU, where all important neutral and ionic states involve similar orbital transitions and thus the shape of the Dyson orbitals do not strongly depend on the initial neutral and final ionic state. We argue that similar situations should also occur in other biologically relevant thio-nucleobases, and that the time-resolved photoelectron spectra of these bases could therefore be adequately modeled with the techniques employed here.

scholarly journals Photophysics of indole upon X-ray absorption

2018 ◽  
Vol 20 (30) ◽  
pp. 20205-20216 ◽  
Author(s):  
Thomas Kierspel ◽  
Cédric Bomme ◽  
Michele Di Fraia ◽  
Joss Wiese ◽  
Denis Anielski ◽  
...  
Keyword(s):  
Gas Phase ◽  
Photon Energy ◽  
Single Photon ◽  
X Ray ◽  
Single Photon Ionization ◽  
Photon Ionization ◽  
X Ray Absorption

A photofragmentation study of gas-phase indole (C8H7N) upon single-photon ionization at a photon energy of 420 eV is presented.

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