The diatropic σ ring currents of [π2s + π2s + π2s] pericyclic transition states
Literature Information
Leonardus W. Jenneskens, Patrick W. Fowler, Erich Steiner
Ab initio current-density maps for the (4n + 2)-electron transition states of two thermally allowed [π2s + π2s + π2s] trimerisations, of ethyne to benzene (1), and of ethene to cyclohexane (2), show that both support σ diatropic ring currents, dominated by four-electron σ → σ* virtual excitation of HOMO electrons.
Recommended Journals

Main Group Chemistry

Acta Metallurgica Sinica-English Letters

Journal of the Indian Institute of Science

Critical Reviews in Solid State and Materials Sciences

Medicinal Chemistry Research

Heteroatom Chemistry

Colloid Journal

Herald of the Russian Academy of Sciences

Atomization and Sprays

NDT & E International
Related Literature
Decomposition of methylamine on nitrogen atom modified Mo(100): a density functional theory study
Cun-Qin Lv, Jian-Hong Liu, Yong Guo
DOI: 10.1039/C2CP24032G
Do inverse dithienylethenes behave as normal ones? A joint spectroscopic and theoretical investigation
Stéphane Aloïse, Michel Sliwa, Guy Buntinx, Stéphanie Delbaere, Aurélie Perrier, François Maurel, Denis Jacquemin, Michinori Takeshita
DOI: 10.1039/C3CP43806F
Time-resolved, laser initiated detonation of TATP supports the previously predicted non-redox mechanism
Valery Bulatov, Ruslan Grinko, Israel Schechter
DOI: 10.1039/C3CP44662J
Oxide ion transport in Sr2Fe1.5Mo0.5O6−δ, a mixed ion-electron conductor: new insights from first principles modeling
Ana B. Muñoz-García, Michele Pavone, Andrew M. Ritzmann
DOI: 10.1039/C3CP50995H
H-abstraction is more efficient than cis–trans isomerization in (4-methylcyclohexylidene) fluoromethane. An ab initio molecular dynamics study
Daniel Kinzel, Jesús González-Vázquez, Leticia González
DOI: 10.1039/C1CP22646K
A pacemaker powered by an implantable biofuel cell operating under conditions mimicking the human blood circulatory system – battery not included
Mark Southcott, Kevin MacVittie, Jan Halámek, William D. Jemison, Robert Lobel, Evgeny Katz
DOI: 10.1039/C3CP50929J
Discrimination between coupling networks of glucopyranosides varying at a single stereocenter using two-dimensional vibrational correlation spectroscopy
Zhiwei Lin, Brad Bendiak, Igor V. Rubtsov
DOI: 10.1039/C2CP23245F
Reynolds numbers exhibit dramatic influence on directionality of movement of self-propelled systems
Guanjia Zhao, Martin Pumera
DOI: 10.1039/C2CP40331E
Femtosecond fluorescence study of the reaction pathways and nature of the reactive S1 state of cis-stilbene
Takumi Nakamura, Satoshi Takeuchi, Tetsuya Taketsugu, Tahei Tahara
DOI: 10.1039/C2CP23959K
You might also like
What precautions should be taken when handling 4-(2-Furylmethyl)thiomorpholine 1,1-dioxide (CAS: 79206-94-3)?
When handling 4-(2-Furylmethyl)thiomorpholine 1,1-dioxide (CAS: 79206-94-3), it ...
What precautions should be taken when handling 4-Chloro-N-[2-(4-morpholinyl)ethyl]benzamide (CAS: 71320-77-9)?
When handling 4-Chloro-N-[2-(4-morpholinyl)ethyl]benzamide (CAS: 71320-77-9), it...
How should waste containing 2-[2-(2-Methoxyethoxy)ethoxy]ethyl 4-methylbenzenesulfonate (CAS: 62921-74-8) be handled?
Waste containing this compound (CAS: 62921-74-8) should be handled according to ...
How should waste containing (S)-Methyl 2-amino-3-cyclohexylpropanoate be handled?
Waste containing (S)-Methyl 2-amino-3-cyclohexylpropanoate should be collected i...
How is 5-({4-[(2S,4R)-4-Hydroxy-2-methyltetrahydro-2H-pyran-4-yl]-2-thienyl}sulfanyl)-1-methyl-1,3-dihydro-2H-indol-2-one (CAS: 166882-70-8) typically synthesized?
This compound can be synthesized using a multi-step process involving the conjug...
Are there alternatives to (2E)-3-(3,4-Dichlorophenyl)acrylic acid (CAS: 7312-27-8) in synthesis?
There are several alternatives to (2E)-3-(3,4-Dichlorophenyl)acrylic acid in syn...
How should Ethyl 6-(2-nitrophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate (CAS: 925437-84-9) be stored?
Ethyl 6-(2-nitrophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate (CAS: 925437-84...
How should waste containing 2-(1,3-Thiazol-2-yl)ethanamine (CAS: 18453-07-1) be handled?
Waste containing 2-(1,3-Thiazol-2-yl)ethanamine (CAS: 18453-07-1) should be coll...
How is Methyl 5-iodo-2-methylbenzoate (CAS: 103440-54-6) typically synthesized?
Methyl 5-iodo-2-methylbenzoate can be synthesized through the iodination of meth...
How is 5-Chloro[1,2,4]triazolo[1,5-a]pyridine (CAS: 1427399-34-5) typically synthesized?
5-Chloro[1,2,4]triazolo[1,5-a]pyridine is commonly synthesized via the condensat...
Source Journal
Chemical Communications

ChemComm publishes urgent research which is of outstanding significance and interest to experts in the field, while also appealing to the journal’s broad chemistry readership. Our communication format is ideally suited to short, urgent studies that are of such importance that they require accelerated publication. Our scope covers all topics in chemistry, and research at the interface of chemistry and other disciplines (such as materials science, nanoscience, physics, engineering and biology) where there is a significant novelty in the chemistry aspects. Major topic areas covered include: Analytical Chemistry Catalysis Chemical Biology and medicinal chemistry Computational Chemistry and Machine Learning Energy and sustainable chemistry Environmental Chemistry Green Chemistry Inorganic Chemistry Materials Chemistry Nanoscience Organic Chemistry Physical Chemistry Polymer Chemistry Supramolecular Chemistry
![1-Naphthalenesulfonic acid, 2-[(2-hydroxy-1-naphthalenyl)azo]-, bariumsalt (2:1) structure 1-Naphthalenesulfonic acid, 2-[(2-hydroxy-1-naphthalenyl)azo]-, bariumsalt (2:1) structure](https://static.chemtradehub.com/structs/110/1103-38-4-0b33.webp)



