Results 1 to 10 of about 4,453 (144)

Phase-Resolved Dual Control of Phenol Photodissociation at the Air-Water Interface From Structure-Resolved Statistics. [PDF]

Adv Sci (Weinh)
Faster phenol photolysis at the air–water interface arises from two cooperative factors: a more favorable initial microenvironment for solvent‐side electron stabilization, which lowers CI access, and a more labile hydrogen‐bond network, which more readily reorganizes to stabilize the dark‐state intermediate.
Yin Q, Shi J, Zhao J, Li C, Xie Y, Tan B, Wang D, Wang Z, Mao Y.   +8 more
europepmc   +2 more sources

A Thorough Understanding of Methylrhodium(III)–Porphyrin Photophysics: A DFT/TDDFT Study [PDF]

Molecules
Rhodium–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
doaj   +2 more sources

Direct observation of two-channel photodissociation of carbon monoxide from the hemoglobin subunits [PDF]

Nature Communications
Determining 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, Igor V. Sazanovich, Marina V. Parkhats, Syargey N. Gilevich, Aliaksei V. Yantsevich, Julia A. Weinstein, Michael Towrie, Boris M. Dzhagarov   +7 more
doaj   +2 more sources

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, Timur Nikitin, Justyna Krupa, Iwona Kosendiak, Rui Fausto, Maria Wierzejewska, Jan Lundell   +6 more
doaj   +1 more source

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, Yigeng Peng, Yigeng Peng, Xiaoqing Hu, Xiaoqing Hu, Yong Wu, Yong Wu, Jianguo Wang, Jianguo Wang, Ruifeng Lu, Nicolas Sisourat   +10 more
doaj   +1 more source

Data for Photodissociation of Some Small Molecular Ions Relevant for Astrochemistry and Laboratory Investigation

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, Ljubinko M. Ignjatović, Aleksandra Kolarski, Zoran R. Mijić, Milan S. Dimitrijević, Veljko Vujčić   +5 more
doaj   +1 more source

The Role of Norrish Type-I Chemistry in Photoactive Drugs: An ab initio Study of a Cyclopropenone-Enediyne Drug Precursor

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, Spencer J. Léger, Barbara Marchetti, Michael N. R. Ashfold, Tolga N. V. Karsili   +4 more
doaj   +1 more source

Photoinduced bond oscillations in ironpentacarbonyl give delayed synchronous bursts of carbonmonoxide release

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, Michael R. Coates, Markus Kowalewski, Hampus Wikmark, Raphael M. Jay, Philippe Wernet, Michael Odelius   +6 more
doaj   +1 more source

Real-Time Measurement of Photodissociation with a Static Modulated Fourier Transform Spectrometer

Applied Sciences, 2022
A static modulated Fourier transform spectrometer composed of a modified Sagnac interferometer was implemented for real-time remote sensing of the spectral property changes in a solid dye.
Ju Yong Cho, Hyoungjin Kim, Seunghoon Lee, Won Kweon Jang   +3 more
doaj   +1 more source

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, Peigen Hu, Tianrui Bai, Linhua Liu   +3 more
doaj   +1 more source