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Transition metal phthalocyanines (MPc's) are an interesting class of material, and their magnetic and electronic properties are determined by the orbital occupation of the transition metal 3d orbitals incorporated in the molecules center. Thus, the ground state configuration of the transition metal center is very important for a complete understanding of these materials. We present experimental data taken using x-ray absorption and x-ray photoemission spectroscopy together with a theoretical interpretation of MPc series with M=Zn, Cu, Ni, Co, Fe, and Mn. The combination of these methods allows us to narrow down possible dominating ground state configurations and shed a brighter light on the electronic structure of these complexes. [ABSTRACT FROM AUTHOR]

The electronic structure of the organic semiconductor copper-phthalocyanine (CuPc) has been determined by a combination of conventional and resonant photoemission, near-edge x-ray absorption, as well as by the first-principles calculations. The experimentally obtained electronic valence band structure of CuPc is in very good agreement with the calculated density of states results, allowing the derivation of detailed site specific information. [ABSTRACT FROM AUTHOR]

The electronic structure and morphology of organic semiconducting cobalt-phtalocyanine (CoPc) films in situ prepared on the Au(001)-5×20 superstructure have been studied by a combination of experimental and theoretical work. The CoPc molecular film was characterized by photoemission spectroscopy (PES, valence band and core-level). The experimental results were simulated and have been explained in the framework of density functional theory (DFT) calculations. The C 1 s and N 1 s core level spectra were analyzed by taking into account the fact that both types of atoms have different nonequivalent positions in the molecule. And finally, the experimentally obtained electronic valence band structure of CoPc is in very good agreement with ab initio density of state results, allowing a detailed site-specific insight into the system. [ABSTRACT FROM AUTHOR]

A detailed investigation of the chemistry and electronic structure during the formation of the interfaces between thin films of the archetypal organic molecular semiconductor copper phthalocyanine (CuPc) and Ag or Sn deposited on it was performed using photoemission and near-edge X-ray absorption spectroscopies with synchrotron light. Our study demonstrates the formation of sharp, abrupt interfaces, a behavior which is of particular importance for applications in organic devices. Moreover, for Ag on CuPc we demonstrate that this interface is free from any reaction, whereas there is slight interface reaction for Sn/CuPc. [ABSTRACT FROM AUTHOR]

The evolution of the morphology and the electronic structure of the hybrid organic-inorganic system composed of gold nanoparticles (NPs) distributed in an organic matrix—copper phthalocyanine (CuPc)—as a function of nominal gold content was studied by transmission electron microscopy and by surface and bulk sensitive spectroscopic methods. The gold atoms deposited onto the CuPc surface diffuse into the organic matrix and self-assemble to NPs. There is no formation of a continuous metallic Au film on top of the CuPc film up to large nominal coverage of about 130 Å considered in the present study. The gold is assembled in well defined NPs with metallic properties. [ABSTRACT FROM AUTHOR]