A model study on the photochemical isomerization of cyclic silenes
Literature Information
The mechanism for the photochemical isomerization reaction is investigated theoretically using a model system of a five-membered-ring silene and the CAS(8,8)/6-311G(d) and MP2-CAS-(8,8)/6-311++G(3df,3pd)//CAS(8,8)/6-311G(d) methods. These model investigations indicate that the preferred reaction route for a five-membered-ring silene, which leads to the photorearrangement product, is as follows: reactant → Franck–Condon region → conical intersection→ photoproduct. In other words, the direct mechanism is a one-step process that has no barrier. These theoretical results agree with the available experimental observations.
Related Literature
Molecular self-assembly in a model amphiphile system
Lorna Dougan, John L. Finney, Alan K. Soper
DOI: 10.1039/C003407J
Fluorescence and solvent-dependent phosphorescence studies of o-nitrobenzaldehyde: A combined experimental and theoretical investigation
Hongming Yin, Keli Han
DOI: 10.1039/C002270E
Reactivity of poly-alcohols towards OH, NO3 and SO4− in aqueous solution
Dirk Hoffmann, Barbara Weigert, Paolo Barzaghi, Hartmut Herrmann
DOI: 10.1039/B908459B
Physical chemistry of self-organization and self-healing in metals
Michael Nosonovsky, Ryoichi Amano, Jose M. Lucci, Pradeep K. Rohatgi
DOI: 10.1039/B912433K
Zinc-doping in TiO2 films to enhance electron transport in dye-sensitized solar cells under low-intensity illumination
Kai-Ping Wang, Hsisheng Teng
DOI: 10.1039/B912672D
A molecular dynamics simulation study of LiFePO4/electrolyte interfaces: structure and Li+ transport in carbonate and ionic liquid electrolytes
Grant D. Smith, Oleg Borodin, Salvy P. Russo, Robert J. Rees, Anthony F. Hollenkamp
DOI: 10.1039/B912820D
Self-promotion mechanism for CO electrooxidation on gold
Paramaconi Rodriguez, Marc T. M. Koper
DOI: 10.1039/B926365A
An ellipsometry study of silicananoparticle layers at the water surface
Antonio Stocco, Dominique Langevin, Bingbo Wei, Bernard P. Binks
DOI: 10.1039/B907903C
You might also like
How should waste containing N-Methoxy-N-methyl-1,3-thiazole-5-carboxamide (CAS: 898825-89-3) be handled?
Waste containing N-Methoxy-N-methyl-1,3-thiazole-5-carboxamide (CAS: 898825-89-3...
How should N-(4-Biphenylyl)dibenzo[b,d]furan-4-amine (CAS: 1318338-47-4) be stored?
N-(4-Biphenylyl)dibenzo[b,d]furan-4-amine should be stored in a tightly sealed c...
What is the market or research trend for 3-Acetamido-5-amino-2,4,6-triiodobenzoic acid (CAS: 1713-07-1)?
The market for 3-Acetamido-5-amino-2,4,6-triiodobenzoic acid (CAS: 1713-07-1) is...
How should Benzyl 2-O-acetyl-3,4,6-tri-O-benzyl-beta-D-galactopyranoside (CAS: 61820-03-9) be stored?
Benzyl 2-O-acetyl-3,4,6-tri-O-benzyl-beta-D-galactopyranoside (CAS: 61820-03-9) ...
What regulatory guidelines apply to 2-Ethylpiperazine dihydrochloride (CAS: 438050-52-3)?
2-Ethylpiperazine dihydrochloride (CAS: 438050-52-3) is regulated under the Glob...
What regulatory guidelines apply to 1,1'-[1,3-Phenylenebis(methylene)]bis(3-methyl-1H-pyrrole-2,5-dione) (CAS: 119462-56-5)?
1,1'-[1,3-Phenylenebis(methylene)]bis(3-methyl-1H-pyrrole-2,5-dione) (CAS: 11946...
Are there alternatives to 5-Fluoro-2-(1-pyrrolidinyl)pyridine (CAS: 1287217-79-1) in synthesis?
Several alternatives can be used in the synthesis of 5-Fluoro-2-(1-pyrrolidinyl)...
What precautions should be taken when handling 1-((2R,3R,4R,5R)-5-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-4-hydroxy-3-methoxytetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione (CAS: 153631-19-7)?
Proper personal protective equipment (PPE) must be worn when handling this compo...
What precautions should be taken when handling 6-Bromoimidazo[1,2-a]pyridin-8-amine (CAS: 676371-00-9)?
When handling 6-Bromoimidazo[1,2-a]pyridin-8-amine, it is important to wear appr...
Are there alternatives to (2S,4R)-4-(4-Nitrobenzyl)pyrrolidine-2-carboxylic acid hydrochloride (CAS: 1049740-22-8) in synthesis?
Alternatives to (2S,4R)-4-(4-Nitrobenzyl)pyrrolidine-2-carboxylic acid hydrochlo...
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.












![[4-Amino-2-(methylsulfanyl)-5-pyrimidinyl]methanol structure [4-Amino-2-(methylsulfanyl)-5-pyrimidinyl]methanol structure](https://static.chemtradehub.com/structs/588/588-36-3-fc73.webp)

