The (L-b)S-1 <- S-0 transition of phenylpropyne and phenylacetylene: an experimental and ab initio study
| dc.contributor.author | Philis, J. G. | en |
| dc.contributor.author | Drougas, E. | en |
| dc.contributor.author | Kosmas, A. M. | en |
| dc.date.accessioned | 2015-11-24T18:34:17Z | |
| dc.date.available | 2015-11-24T18:34:17Z | |
| dc.identifier.issn | 0301-0104 | - |
| dc.identifier.uri | https://olympias.lib.uoi.gr/jspui/handle/123456789/16903 | |
| dc.rights | Default Licence | - |
| dc.subject | phenylpropyne | en |
| dc.subject | phenylacetylene | en |
| dc.subject | rempi | en |
| dc.subject | normal modes | en |
| dc.subject | excited state | en |
| dc.subject | ab initio | en |
| dc.subject | 2-photon spectroscopy | en |
| dc.subject | fluorescence-spectra | en |
| dc.subject | benzene | en |
| dc.subject | styrene | en |
| dc.subject | state | en |
| dc.subject | ethynylbenzene | en |
| dc.subject | excitation | en |
| dc.subject | ionization | en |
| dc.subject | vibrations | en |
| dc.subject | system | en |
| dc.title | The (L-b)S-1 <- S-0 transition of phenylpropyne and phenylacetylene: an experimental and ab initio study | en |
| heal.abstract | This work describes the first excited singlet electronic state, L-b, of phenylpropyne (PPR) and phenylacetylene (PA). Ab initio calculations have been performed for the geometry and normal modes in the So and S, states. One-photon and two-photon S, So spectra of jet cooled samples have been examined (REMPI detection) and a detailed vibronic analysis has been carried out for PPR and PA. The origin band of PPR (lambda = 279.64 nm) is one order of magnitude weaker than the origin band (lambda = 278.63 nm) of PA and the acetylenic modes are greatly reduced by the H --> CH3 substitution. These changes and the parallel PPR-PA comparison provided a way for secure vibronic assignment in both molecules, which was also aided by theoretical predictions. (C) 2004 Elsevier B.V. All rights reserved. | en |
| heal.access | campus | - |
| heal.fullTextAvailability | TRUE | - |
| heal.identifier.primary | DOI 10.1016/j.chemphys.2004.07.035 | - |
| heal.identifier.secondary | <Go to ISI>://000224674000024 | - |
| heal.identifier.secondary | http://ac.els-cdn.com/S0301010404004343/1-s2.0-S0301010404004343-main.pdf?_tid=6e2376e3364b066e398d5aeb0dc41280&acdnat=1334231847_4a8e19ad18073410ffd986e676f849e9 | - |
| heal.journalName | Chemical Physics | en |
| heal.journalType | peer reviewed | - |
| heal.language | en | - |
| heal.publicationDate | 2004 | - |
| heal.recordProvider | Πανεπιστήμιο Ιωαννίνων. Σχολή Επιστημών και Τεχνολογιών. Τμήμα Βιολογικών Εφαρμογών και Τεχνολογιών | el |
| heal.type | journalArticle | - |
| heal.type.el | Άρθρο Περιοδικού | el |
| heal.type.en | Journal article | en |
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