Linked Life Data

15260740

Source:http://linkedlifedata.com/resource/pubmed/id/15260740

Statements in which the resource exists as a subject.
PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
4
pubmed:dateCreated
2004-7-20
pubmed:abstractText
The electronic structure of copper-phthalocyanine (CuPc) has been studied both experimentally and theoretically. Experiments have been performed on alpha and beta crystalline phases, using photoemission spectroscopy to probe core levels and valence band spectra. Different photon energies have been used, in order to probe different sample depths. Only minor differences have been observed in the experimental data on the two different phases, except for a small charge effect on the beta phase crystal. First-principles calculations have been performed using the density functional for molecular and three-dimensional periodic solids (Dmol(3)) code on both the single CuPc molecule and the beta phase, allowing the identification of the different atomic and angular contributions to the experimental density of states. In particular, the highest occupied molecular level is mainly due to Cu and N states. The comparison between theoretical data obtained for the CuPc in the beta phase and in the single molecule shows that the interchain interaction between the molecules is negligible, whereas slightly stronger intrachain interactions occur.
pubmed:language
eng
pubmed:journal
pubmed:status
PubMed-not-MEDLINE
pubmed:month
Jul
pubmed:issn
0021-9606
pubmed:author
pubmed:issnType
Print
pubmed:day
22
pubmed:volume
121
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
1883-9
pubmed:year
2004
pubmed:articleTitle
Electronic structure of crystalline copper phthalocyanine.
pubmed:affiliation
Department of Physics and CNR-INFM, University of L'Aquila, 67010 Coppito, L'Aquila, Italy. luca.lozzi@aquila.infn.it
pubmed:publicationType
Journal Article