Source:http://linkedlifedata.com/resource/pubmed/id/20175163
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rdf:type | |
lifeskim:mentions | |
pubmed:issue |
13
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pubmed:dateCreated |
2010-4-1
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pubmed:abstractText |
Tetrameric porphyrin formation of 2-hydroxymethylpyrrole fused with porphyrins through a bicyclo[2.2.2]octadiene unit gave bicyclo[2.2.2]octadiene-fused porphyrin pentamers. Thermal conversion of the pentamers gave fully pi-conjugated cruciform porphyrin pentamers fused with benzene units in quantitative yields. UV/Vis spectra of fully pi-conjugated porphyrin pentamers showed one very strong Q absorption and were quite different from those of usual porphyrins. From TD-DFT calculations, the HOMO level is 0.49 eV higher than the HOMO-1 level. The LUMO and LUMO+1 levels are very close and are lower by more than 0.27 eV than those of other unoccupied MOs. The strong Q absorption was interpreted as two mutually orthogonal single-electron transitions (683 nm: 86 %, HOMO-->LUMO; 680 nm: 86 %, HOMO-->LUMO+1). The two-photon absorption (TPA) cross section value (sigma((2))) of the benzene-fused porphyrin pentamer was estimated to be 3900 GM at 1500 nm, which is strongly correlated with a cruciform molecular structure with multidirectional pi-conjugation pathways.
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pubmed:language |
eng
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pubmed:journal | |
pubmed:status |
PubMed-not-MEDLINE
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pubmed:month |
Apr
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pubmed:issn |
1521-3765
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pubmed:author | |
pubmed:issnType |
Electronic
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pubmed:day |
6
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pubmed:volume |
16
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pubmed:owner |
NLM
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pubmed:authorsComplete |
Y
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pubmed:pagination |
4063-74
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pubmed:year |
2010
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pubmed:articleTitle |
Highly pure synthesis, spectral assignments, and two-photon properties of cruciform porphyrin pentamers fused with benzene units.
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pubmed:affiliation |
Department of Chemistry and Biology, Graduate School of Science and Engineering, Ehime University, Matsuyama 790-8577, Japan.
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pubmed:publicationType |
Journal Article
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