Molecular structures of metal macrocyclic compounds with nitrogen, oxygen, and sulfur atoms in macrocycles arising in 'self-assembly' processes: quantum-chemical modeling

摘要

The results of quantum-chemical calculations of the molecular structures of d-metal macrocyclic chelate complexes with compartmental and macrocyclic (N,O)- and (N,S) donor atomic ligands arising as a result of "self-assembly" process have been systematized and generalized. It has been noticed that, generally, for such coordination compounds, molecular structures with noncoplanar chelate nodes and noncoplanar macrocycles are more typical than those with coplanar ones. The review covers the works of the author and other researchers carried out mainly over the past 20 years.