Abstract
Trithiapentalene antrone (I antr), its newly synthesized oxy-(II antr) and aza-(III antr) analogues, and their models were investigated by XPS method for the first time. Quantum-chemical calculations in all-valence (σ–π) approach (INDO/S) were performed. The distribution of the electron density on sulfur, nitrogen, and oxygen atoms was determined. The correlation of calculated charges with binding energies and chemical shifts was found. A new chromophore system was revealed. The electron-donor influence of a pyrrole nitrogen atom on the aromatic π-system was shown.
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