New theoretical investigations of the photodissociation of ozone in the Hartley, Huggins, Chappuis, and Wulf bands
Literature Information
S. Yu. Grebenshchikov, Z.-W. Qu, H. Zhu, R. Schinke
We review recent theoretical studies of the photodissociation of ozone in the wavelength region from 200 nm to 1100 nm comprising four major absorption bands: Hartley and Huggins (near ultraviolet), Chappuis (visible), and Wulf (near infrared). The quantum mechanical dynamics calculations use global potential energy surfaces obtained from new high-level electronic structure calculations. Altogether nine electronic states are taken into account in the theoretical descriptions: four 1A′, two 1A″, one 3A′ and two 3A″ states. Of particular interest is the analysis of diffuse vibrational structures, which are prominent in all absorption bands, and their dynamical origin and assignment. Another focus is the effect of non-adiabatic coupling on lifetimes in the excited states and on the population of the specific electronic product channels.
Recommended Journals

Russian Journal of Bioorganic Chemistry

Current Opinion in Colloid & Interface Science

Russian Chemical Bulletin

Drug Discovery Today

Russian Journal of General Chemistry

Nature Medicine

Russian Journal of Coordination Chemistry

Crystallography Reports

Russian Journal of Organic Chemistry

Organic Process Research & Development
Related Literature
Multi-responsive poly(oligo(ethylene glycol)methyl methacrylate)-co-poly(2-(diisopropylamino)ethyl methacrylate) hyperbranched copolymers via reversible addition fragmentation chain transfer polymerization
Dimitrios Selianitis, Stergios Pispas
DOI: 10.1039/D1PY01320C
Semiaromatic polyamides with enhanced charge carrier mobility
Bilal Özen, Nicolas Candau, Cansel Temiz, Ferdinand C. Grozema, Grégory Stoclet, Christopher J. G. Plummer, Holger Frauenrath
DOI: 10.1039/D1PY01203G
Balancing the transesterification reactivity of isosorbide with diphenyl carbonate: preferential activation of exo-OH
Ming Zhang, Yifei Tu, Zibo Zhou, Guozhang Wu
DOI: 10.1039/D0PY00764A
Aluminum-catalyzed statistical copolymerization of mono-, tri- and penta-fluorophenyl glycidyl ether with ethylene oxide and epichlorohydrin
Fang Guo, Ming Deng, Fan Li, Shoulong Chen
DOI: 10.1039/D1PY00938A
Anion-induced thermoresponsiveness in cationic polycysteine and DNA binding
Mahammad Anas, Priyanka Dinda, Mahuya Kar, Tarun K. Mandal
DOI: 10.1039/D1PY01187A
Biobased poly(ester-co-glycoside) from reactive natural Brønsted acidic deep eutectic solvent analogue
Gabriel Duaux, Etienne Fleury, Daniel Portinha
DOI: 10.1039/D1PY00990G
Impacts of performing electrolysis during organocatalyzed atom transfer radical polymerization
Daniel A. Corbin, Blaine G. McCarthy, Garret M. Miyake
DOI: 10.1039/D0PY00643B
You might also like
What is the market or research trend for N-(4-Methoxybenzyl)-2-pyridinamine (CAS: 52818-63-0)?
N-(4-Methoxybenzyl)-2-pyridinamine (CAS: 52818-63-0) is increasingly being used ...
What precautions should be taken when handling Ethyl 4-(2-chlorophenyl)-1,3-thiazole-2-carboxylate (CAS: 1050507-06-6)?
When handling Ethyl 4-(2-chlorophenyl)-1,3-thiazole-2-carboxylate, appropriate p...
What regulatory guidelines apply to diethyldiselane (CAS: 628-39-7)?
Diethyldiselane (CAS: 628-39-7) is classified under the Globally Harmonized Syst...
What is the market or research trend for oxocopper (CAS: 12053-18-8)?
The market for oxocopper (CAS: 12053-18-8) is primarily driven by its use in cat...
What is the market or research trend for 5-{[(2-Methyl-2-propanyl)oxy]carbonyl}-5-azaspiro[2.4]heptane-7-carboxylic acid?
The market for 5-{[(2-Methyl-2-propanyl)oxy]carbonyl}-5-azaspiro[2.4]heptane-7-c...
What is 2-(1-Pyrrolidinyl)-4-pyridinamine (CAS: 35981-63-6)?
2-(1-Pyrrolidinyl)-4-pyridinamine is a chemical compound with the CAS number 359...
What are the physical and chemical properties of 2-(3-Pyridinyl)-1-azabicyclo[2.2.2]octane (CAS: 91556-75-1)?
2-(3-Pyridinyl)-1-azabicyclo[2.2.2]octane (CAS: 91556-75-1) is a crystalline sol...
How is (S)-Alpha-allyl-proline hydrochloride (CAS: 129704-91-2) typically synthesized?
(S)-Alpha-allyl-proline hydrochloride is usually synthesized via a Wittig reacti...
What is 3-Methyl-1,2-oxazole-5-carboxylic acid (CAS: 4857-42-5)?
3-Methyl-1,2-oxazole-5-carboxylic acid (CAS: 4857-42-5) is an organic compound w...
How is Lys-SMCC-DM1 (CAS: 1281816-04-3) typically synthesized?
Lys-SMCC-DM1 is synthesized via a multi-step process involving the coupling of S...
Source Journal
Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.




