Abstract
On the basis of quantum-chemical calculations of the properties of excited states and comparison with the experimental data, we show that at room temperature unliganded dimers of Zn-porphyrins and Zn-chlorins, bonded through a CH2−CH2-group, are in a conformation close to an eclipsed one, while their dipyridine complexes are in an unchanged conformation. For triad and pentad complexes, formed as a result of extraliganding of dimers of Zn-porphyrins with di- and tetrapyridyl-substituted free bases of porphyrins, the calculations predict the presence of states with transfer of a charge from dimers onto a free porphyrin base that are manifested in the region between the Q- and B-transitions in electron absorption spectra.
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