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Electronic Structures and Photodetachment of TeO2−, TeO3−, and HTeO4− Anions: A Cryogenic Photoelectron Spectroscopic Study [PDF]
MoleculesCryogenic anion photoelectron spectroscopy combined with quantum chemical calculations was employed to investigate the electronic structures and photodetachment properties of TeO2−, TeO3−, and HTeO4− anions.
Fan Yang +8 more
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A Thorough Understanding of Methylrhodium(III)–Porphyrin Photophysics: A DFT/TDDFT Study [PDF]
MoleculesRhodium–porphyrin complexes are characterised by their ability to activate C-H and C-C bonds and, therefore, find applications in synthesis and catalysis. Axial rhodoporphyrin ligands are susceptible to photodissociation under the influence of light. DFT
Piotr Lodowski, Maria Jaworska
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Direct observation of two-channel photodissociation of carbon monoxide from the hemoglobin subunits [PDF]
Nature CommunicationsDetermining dynamics of bond breaking between carbon monoxide (CO) and heme proteins is essential to understand the interplay between protein function and dynamics, which is one of the fundamental challenges of physical biology.
Sergei V. Lepeshkevich +7 more
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Photodissociation-driven photoacoustic spectroscopy with UV-LEDs for ozone detection [PDF]
PhotoacousticsThis study presents the development and evaluation of a UV-LED based photoacoustic (PA) measurement system for ozone (O3) detection to demonstrate its potential for low-cost and accurate sensing while for the first time addressing the importance of ...
Lukas Escher +5 more
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Conformational-Dependent Photodissociation of Glycolic Acid in an Argon Matrix
Photochem, 2023 Ultraviolet-induced photodissociation and photo-isomerization of the three most stable conformers (SSC, GAC, and AAT) of glycolic acid are investigated in a low-temperature solid argon matrix using FTIR spectroscopy and employing laser radiation with ...
Jussi Ahokas +6 more
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Photodissociation of water molecule at short photon wavelengths: Dynamical studies
Frontiers in Physics, 2023 In our last study [J. Phys. B At. Mol. Opt. Phys. 54, 125,102 (2021).], we reported the ab initio calculation of the full-dimensional potential energy surfaces of water molecule including 9 A’ and 9 A” states in Cs symmetry.
Yigeng Peng +10 more
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Data, 2022 The calculated photodissociation data of some small molecular ions have been reported. The cross-sections and spectral rate coefficients data have been studied using a quantum mechanical method. The plasma parameters, i.e., conditions, cover temperatures
Vladimir A. Srećković +5 more
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Frontiers in Chemistry, 2020 We present a contemporary mechanistic description of the light-driven conversion of cyclopropenone containing enediyne (CPE) precusors to ring-opened species amenable to further Bergman cyclization and formation of stable biradical species that have been
Spencer J. Léger +4 more
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Nature Communications, 2022 The photodissociation of transition metal carbonyls is involved in catalysis and synthetic processes. Here the authors, using semi-classical excited state molecular dynamics, observe details of the early stage dynamics in the photodissociation of Fe(CO)5,
Ambar Banerjee +6 more
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A Theoretical Study of Temperature-dependent Photodissociation Cross Sections and Rates for O2
The Astrophysical Journal Supplement Series, 2023 The photodissociation of O _2 is thought to play a vital role in blocking UV radiation in the Earth’s atmosphere and likely has great importance in characterizing exoplanetary atmospheres.
Zhi Qin +3 more
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