X-ray photoelectron spectroscopic study of tetraphenyldithiapyranylidene and its polyiodides

High resolution X-ray photoelectron spectra are reported for tetraphenyldithiapyranylidene (DIPSσ₄), three of its polyiodides, and its diperchlor allows to emphasize the evolution of the structure with iodine contents. The chemical nature of the iodine species is also inferred from the I3d_{$\text{5}\text{2}$} signal shape. The low binding energy of the highest occupied molecular orbital is compared to that of other π-systems, and the Iteration of the electron delocalization is shown to be rel     

Study of structural and electronic transport properties of Ce-doped LaMnO3

The structural and electronic transport properties of La_1−x Ce _x MnO₃ (x=0.0–1.0) have been studied. All the samples exhibit orthorhombic crystal symmetry and the unit cell volume decreases with Ce doping. They also make a metal-insulator transition (MIT) and transition temperature increases with increase in Ce concentration up to 50% doping. The system La_0.5Ce_0.5MnO₃ also exhibits MIT instead of charge-ordered state as observed in the hole doped systems of the same composition.     

Potentialities of the gelius intensity model in quality control of valence XPS measurements

The Gelius intensity model is shown to be a useful tool to check the quality of XPS valence spectra, in order to be aware of experimental data biased by electrons originating from the sample support.     

The Geometry of Tetrathiotetracene as a Donor in Charge Transfer Complexes: an ab Initio Theoretical Investigation

Ab initio STO-3G calculations are performed on both tetracene (T) and tetrathiotetracene (TTT), and their respective radical-cations. Mulliken populations indices and nodal structure of the HOMO explain the geometry changes of these compounds upon ionization. The strong relaxation energy calculated for tetrathiotetracene, and its low first ionization potential, are related to the grafting of the two disulfide bridges and largely justify the peculiar behavior of TTT upon charge transfer