| pubmed-article:18180040 | rdf:type | pubmed:Citation | lld:pubmed |
| pubmed-article:18180040 | lifeskim:mentions | umls-concept:C0032712 | lld:lifeskim |
| pubmed-article:18180040 | lifeskim:mentions | umls-concept:C1441506 | lld:lifeskim |
| pubmed-article:18180040 | lifeskim:mentions | umls-concept:C0013850 | lld:lifeskim |
| pubmed-article:18180040 | lifeskim:mentions | umls-concept:C0596341 | lld:lifeskim |
| pubmed-article:18180040 | lifeskim:mentions | umls-concept:C0678594 | lld:lifeskim |
| pubmed-article:18180040 | pubmed:issue | 3 | lld:pubmed |
| pubmed-article:18180040 | pubmed:dateCreated | 2008-2-25 | lld:pubmed |
| pubmed-article:18180040 | pubmed:abstractText | A combination of magnetic circular dichroism (MCD), electronic absorption spectroscopy and time-dependent density functional theory (TD-DFT) calculations has been used to investigate the electronic structure of azulene-fused pi-expanded porphyrins based primarily on the spectral properties of absorption bands in the near infrared region. From MCD experiments, it was suggested that in the case of a mono-azulene-fused porphyrin DeltaHOMO approximately equal DeltaLUMO (where DeltaHOMO is the magnitude of the energy gap between the HOMO and HOMO-1 and DeltaLUMO is the magnitude of the energy gap between the LUMO and LUMO+1), while in the case of an oppositely-di-azulene-fused porphyrin, DeltaHOMO<DeltaLUMO. Since Faraday A terms are observed for both the Soret and Q bands in the MCD spectrum of tetra-azulene-fused porphyrin the corresponding excited states are clearly accidentally degenerate despite the C(2) molecular symmetry. Transition dipole moment analysis clearly demonstrates that the electronic absorption spectrum of tetra-azulene-fused porphyrin has out-of-plane electronic transitions slightly to the blue of the main Q and Soret bands. Comparison with distorted porphyrins and phthalocyanines strongly suggests that these out-of-plane transitions appear as intense Gaussian-shaped Faraday B terms in the MCD spectra. | lld:pubmed |
| pubmed-article:18180040 | pubmed:language | eng | lld:pubmed |
| pubmed-article:18180040 | pubmed:journal | http://linkedlifedata.com/r... | lld:pubmed |
| pubmed-article:18180040 | pubmed:citationSubset | IM | lld:pubmed |
| pubmed-article:18180040 | pubmed:chemical | http://linkedlifedata.com/r... | lld:pubmed |
| pubmed-article:18180040 | pubmed:chemical | http://linkedlifedata.com/r... | lld:pubmed |
| pubmed-article:18180040 | pubmed:chemical | http://linkedlifedata.com/r... | lld:pubmed |
| pubmed-article:18180040 | pubmed:status | MEDLINE | lld:pubmed |
| pubmed-article:18180040 | pubmed:month | Mar | lld:pubmed |
| pubmed-article:18180040 | pubmed:issn | 0162-0134 | lld:pubmed |
| pubmed-article:18180040 | pubmed:author | pubmed-author:OsukaAtsuhiro... | lld:pubmed |
| pubmed-article:18180040 | pubmed:author | pubmed-author:UchiyamaMasan... | lld:pubmed |
| pubmed-article:18180040 | pubmed:author | pubmed-author:KobayashiNaga... | lld:pubmed |
| pubmed-article:18180040 | pubmed:author | pubmed-author:KurotobiKeiK | lld:pubmed |
| pubmed-article:18180040 | pubmed:author | pubmed-author:NakaiKatsunor... | lld:pubmed |
| pubmed-article:18180040 | pubmed:issnType | Print | lld:pubmed |
| pubmed-article:18180040 | pubmed:volume | 102 | lld:pubmed |
| pubmed-article:18180040 | pubmed:owner | NLM | lld:pubmed |
| pubmed-article:18180040 | pubmed:authorsComplete | Y | lld:pubmed |
| pubmed-article:18180040 | pubmed:pagination | 466-71 | lld:pubmed |
| pubmed-article:18180040 | pubmed:meshHeading | pubmed-meshheading:18180040... | lld:pubmed |
| pubmed-article:18180040 | pubmed:meshHeading | pubmed-meshheading:18180040... | lld:pubmed |
| pubmed-article:18180040 | pubmed:meshHeading | pubmed-meshheading:18180040... | lld:pubmed |
| pubmed-article:18180040 | pubmed:meshHeading | pubmed-meshheading:18180040... | lld:pubmed |
| pubmed-article:18180040 | pubmed:meshHeading | pubmed-meshheading:18180040... | lld:pubmed |
| pubmed-article:18180040 | pubmed:meshHeading | pubmed-meshheading:18180040... | lld:pubmed |
| pubmed-article:18180040 | pubmed:year | 2008 | lld:pubmed |
| pubmed-article:18180040 | pubmed:articleTitle | Electronic structures of azulene-fused porphyrins as seen by magnetic circular dichroism and TD-DFT calculations. | lld:pubmed |
| pubmed-article:18180040 | pubmed:affiliation | Department of Chemistry, Graduate School of Science, Tohoku University, Sendai 980-8578, Japan. | lld:pubmed |
| pubmed-article:18180040 | pubmed:publicationType | Journal Article | lld:pubmed |
| pubmed-article:18180040 | pubmed:publicationType | Research Support, Non-U.S. Gov't | lld:pubmed |
