FT Raman and DFT Study on a Series of All- anti Oligothienoacenes End-Capped with Triisopropylsilyl Groups
dc.contributor.author | Malavé Osuna, Reyes | en_US |
dc.contributor.author | Hernández, Víctor | en_US |
dc.contributor.author | López Navarrete, Juan T. | en_US |
dc.contributor.author | Aragó, Juan | en_US |
dc.contributor.author | Viruela, Pedro M. | en_US |
dc.contributor.author | Ortí, Enrique | en_US |
dc.contributor.author | Suzuki, Yoshitake | en_US |
dc.contributor.author | Yamaguchi, Shigehiro | en_US |
dc.contributor.author | Henssler, John T. | en_US |
dc.contributor.author | Matzger, Adam J. | en_US |
dc.date.accessioned | 2010-01-05T15:10:57Z | |
dc.date.available | 2010-03-01T21:10:29Z | en_US |
dc.date.issued | 2009-12-07 | en_US |
dc.identifier.citation | MalavÉ Osuna, Reyes; HernÁndez, VÍctor; LÓpez Navarrete, Juan T.; AragÓ, Juan; Viruela, Pedro M.; OrtÍ, Enrique; Suzuki, Yoshitake; Yamaguchi, Shigehiro; Henssler, John T.; Matzger, Adam J. (2009). "FT Raman and DFT Study on a Series of All- anti Oligothienoacenes End-Capped with Triisopropylsilyl Groups." ChemPhysChem 10(17): 3069-3076. <http://hdl.handle.net/2027.42/64547> | en_US |
dc.identifier.issn | 1439-4235 | en_US |
dc.identifier.issn | 1439-7641 | en_US |
dc.identifier.uri | https://hdl.handle.net/2027.42/64547 | |
dc.identifier.uri | http://www.ncbi.nlm.nih.gov/sites/entrez?cmd=retrieve&db=pubmed&list_uids=19810080&dopt=citation | en_US |
dc.description.abstract | Herein, we study the Π-conjugational properties of a homologous series of all -anti oligothienoacenes containing four to eight fused thiophene rings by means of FT Raman spectroscopy and DFT calculations. The theoretical analysis of the spectroscopic data provides evidence that selective enhancement of a very limited number of Raman scatterings is related to the occurrence in these oligothienoacenes of strong vibronic coupling between collective Ν(C[bouble bond]C) stretching modes in the 1600–1300 cm −1 region and the HOMO/LUMO frontier orbitals (HOMO=highest occupied molecular orbital; LUMO=lowest unoccupied molecular orbital). The correlation of the Raman spectroscopic data and theoretical results for these all -anti oligothienoacenes with those previously collected for a number of all -syn oligothienohelicenes gives further support to the expectation that cross-conjugation is dominant in heterohelicenes. Fully planar all -anti oligothienoacenes display linear Π conjugation which seemingly does not reach saturation with increasing number of annulated thiophene rings in the oligomeric chain at least up to the octamer. | en_US |
dc.format.extent | 498609 bytes | |
dc.format.extent | 3118 bytes | |
dc.format.mimetype | application/pdf | |
dc.format.mimetype | text/plain | |
dc.publisher | WILEY-VCH Verlag | en_US |
dc.subject.other | Chemistry | en_US |
dc.title | FT Raman and DFT Study on a Series of All- anti Oligothienoacenes End-Capped with Triisopropylsilyl Groups | en_US |
dc.type | Article | en_US |
dc.rights.robots | IndexNoFollow | en_US |
dc.subject.hlbsecondlevel | Chemistry | en_US |
dc.subject.hlbsecondlevel | Physics | en_US |
dc.subject.hlbtoplevel | Science | en_US |
dc.description.peerreviewed | Peer Reviewed | en_US |
dc.contributor.affiliationum | Department of Physical Chemistry, University of MÁlaga, 29071 MÁlaga (Spain), Fax: (+34) 952-132000 | en_US |
dc.contributor.affiliationum | Department of Physical Chemistry, University of MÁlaga, 29071 MÁlaga (Spain), Fax: (+34) 952-132000 | en_US |
dc.contributor.affiliationum | Instituto de Ciencia Molecular, Universidad de Valencia, P.O. Box 22085, 46071 Valencia (Spain), Fax: (+34) 963543274 | en_US |
dc.contributor.affiliationum | Department of Chemistry and the Macromolecular Science and Engineering Program, University of Michigan, 930 North University, Ann Arbor, Michigan 48109-1055 (USA) | en_US |
dc.contributor.affiliationum | Department of Chemistry and the Macromolecular Science and Engineering Program, University of Michigan, 930 North University, Ann Arbor, Michigan 48109-1055 (USA) | en_US |
dc.contributor.affiliationother | Department of Physical Chemistry, University of MÁlaga, 29071 MÁlaga (Spain), Fax: (+34) 952-132000 | en_US |
dc.contributor.affiliationother | Instituto de Ciencia Molecular, Universidad de Valencia, P.O. Box 22085, 46071 Valencia (Spain), Fax: (+34) 963543274 | en_US |
dc.contributor.affiliationother | Instituto de Ciencia Molecular, Universidad de Valencia, P.O. Box 22085, 46071 Valencia (Spain), Fax: (+34) 963543274 | en_US |
dc.contributor.affiliationother | Department of Chemistry, Graduate School of Science, Nagoya University, Furo, Chikusa, Nagoya, 464-8602 (Japan) | en_US |
dc.contributor.affiliationother | Department of Chemistry, Graduate School of Science, Nagoya University, Furo, Chikusa, Nagoya, 464-8602 (Japan) | en_US |
dc.identifier.pmid | 19810080 | en_US |
dc.description.bitstreamurl | http://deepblue.lib.umich.edu/bitstream/2027.42/64547/1/3069_ftp.pdf | |
dc.identifier.doi | 10.1002/cphc.200900440 | en_US |
dc.identifier.source | ChemPhysChem | en_US |
dc.owningcollname | Interdisciplinary and Peer-Reviewed |
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