Experimental and theoretical study of electronic structure of lutetium bi-phthalocyanine
2013 (English)In: Journal of Chemical Physics, ISSN 0021-9606, E-ISSN 1089-7690, Vol. 138, no 23, 234701- p.Article in journal (Refereed) Published
Using Near Edge X-Ray Absorption Fine Structure (NEXAFS) Spectroscopy, the thickness dependent formation of Lutetium Phthalocyanine (LuPc2) films on a stepped passivated Si(100)2x1 reconstructed surface was studied. Density functional theory (DFT) calculations were employed to gain detailed insights into the electronic structure. Photoelectron spectroscopy measurements have not revealed any noticeable interaction of LuPc2 with the H-passivated Si surface. The presented study can be considered to give a comprehensive description of the LuPc2 molecular electronic structure. The DFT calculations reveal the interaction of the two molecular rings with each other and with the metallic center forming new kinds of orbitals in between the phthalocyanine rings, which allows to better understand the experimentally obtained NEXAFS results.
Place, publisher, year, edition, pages
2013. Vol. 138, no 23, 234701- p.
IdentifiersURN: urn:nbn:se:uu:diva-205011DOI: 10.1063/1.4809725ISI: 000321012400026OAI: oai:DiVA.org:uu-205011DiVA: diva2:640505