Please use this identifier to cite or link to this item:
https://hdl.handle.net/10316/10642
DC Field | Value | Language |
---|---|---|
dc.contributor.author | Chattopadhyay, Nitin | - |
dc.contributor.author | Reva, Igor | - |
dc.contributor.author | Lapinski, Leszek | - |
dc.contributor.author | Lapinski, Leszek | - |
dc.contributor.author | Fausto, Rui | - |
dc.contributor.author | Arnaut, Luís G. | - |
dc.contributor.author | Formosinho, Sebastião J. | - |
dc.date.accessioned | 2009-07-13T08:12:24Z | - |
dc.date.available | 2009-07-13T08:12:24Z | - |
dc.date.issued | 2002-04-18 | - |
dc.identifier.citation | The Journal of Physical Chemistry A. 106:15 (2002) 3722-3726 | en_US |
dc.identifier.issn | 1089-5639 | - |
dc.identifier.uri | https://hdl.handle.net/10316/10642 | - |
dc.description.abstract | The low-temperature matrix isolation technique in combination with FTIR spectroscopy, has been used to study the trans−cis photoisomerization of p-(dimethylamino)-β-chlorostyrene (DMACS). The highly dominant form of the compound immediately after deposition in argon matrix has been identified, by comparison of its experimental infrared spectrum with that calculated at the DFT(B3LYP)/6-31G** level, as the trans isomer. Upon UV irradiation of the matrix, a photoreaction was observed resulting in the appearance of a new IR spectrum corresponding to the photoproduct. By comparison with the theoretically predicted spectra, the photoproduct was identified as the cis form of DMACS. Cross-sections of the potential energy surfaces (PES) along the C1−C10C11−Cl torsional coordinate in the ground (S0) as well as in the lowest excited singlet (S1) states were generated using the semiempirical (AM1) method. Although the relative energies of the two isomers are quite close (4.6 kJ mol-1, MP2/6-31G** calculation) in the ground state, the PES reflects that attainment of the equilibrium in the distribution of the two isomers is restricted because of a large activation barrier. The simulated PES, however, corroborates a trans → cis photoisomerization process involving the participation of the S1 state. | en_US |
dc.language.iso | eng | en_US |
dc.publisher | American Chemical Society | en_US |
dc.rights | openAccess | eng |
dc.title | Photoisomerization of p-(Dimethylamino)-β-chlorostyrene: A Low Temperature Matrix Isolation FTIR Study | en_US |
dc.type | article | en_US |
dc.identifier.doi | 10.1021/jp013715c | - |
uc.controloAutoridade | Sim | - |
item.openairetype | article | - |
item.languageiso639-1 | en | - |
item.openairecristype | http://purl.org/coar/resource_type/c_18cf | - |
item.cerifentitytype | Publications | - |
item.grantfulltext | open | - |
item.fulltext | Com Texto completo | - |
crisitem.author.dept | Faculty of Sciences and Technology | - |
crisitem.author.parentdept | University of Coimbra | - |
crisitem.author.researchunit | CQC - Coimbra Chemistry Centre | - |
crisitem.author.researchunit | CQC - Coimbra Chemistry Centre | - |
crisitem.author.researchunit | CQC - Coimbra Chemistry Centre | - |
crisitem.author.researchunit | CQC - Coimbra Chemistry Centre | - |
crisitem.author.parentresearchunit | Faculty of Sciences and Technology | - |
crisitem.author.parentresearchunit | Faculty of Sciences and Technology | - |
crisitem.author.parentresearchunit | Faculty of Sciences and Technology | - |
crisitem.author.parentresearchunit | Faculty of Sciences and Technology | - |
crisitem.author.orcid | 0000-0001-5983-7743 | - |
crisitem.author.orcid | 0000-0003-2896-4007 | - |
crisitem.author.orcid | 0000-0003-2896-4007 | - |
crisitem.author.orcid | 0000-0002-8264-6854 | - |
crisitem.author.orcid | 0000-0002-3223-4819 | - |
crisitem.author.orcid | 0000-0001-6607-0026 | - |
Appears in Collections: | FCTUC Química - Artigos em Revistas Internacionais |
Files in This Item:
File | Description | Size | Format | |
---|---|---|---|---|
Photoisomerization of p-(Dimethylamino)-â-chlorostyrene.pdf | 156.98 kB | Adobe PDF | View/Open |
SCOPUSTM
Citations
5
checked on May 1, 2023
WEB OF SCIENCETM
Citations
10
3
checked on May 2, 2023
Page view(s)
384
checked on Mar 26, 2024
Download(s)
194
checked on Mar 26, 2024
Google ScholarTM
Check
Altmetric
Altmetric
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.