Izvestiya of Saratov University.
ISSN 1816-9775 (Print)
ISSN 2541-8971 (Online)

reactivity indices

Quantum chemical analysis of reactivity of several chromenopyrazoles

The article presents the results of quantum chemical calculation of reactivity indices of nine substituted chromenopyrazoles that can be potentially used as ligands for light emitting complex compounds. The molecules chosen for our study contain several potential complexation centers (nitrogen atoms of pyrazol ring and oxygen atoms of chromene fragment) as well as additional chromophoric groups capable of facilitating the excitation energy transfer from ligand to central ion.