Anion Influence on theStructure of N,O-Hybrid Pyrazole ZnII,CdII, and HgIIComplexes. Synthesis, Characterization,and Theoretical Studies.

In this paper we describe the synthesis and characterizationofthree new complexes of the 1,8-bis(3,5-dimethyl-1H-pyrazol-1-yl)-3,6-dioxaoctane ligand (L) with ZnII(1A), CdII(2A), andHgII(3A) ions. The aim of the present studyis to investigate the structural effect of the counteranion (Cl–vs ClO4–) on the typeand geometry of the structures of the complexes as well as the ligationalbehavior of the ligand. Depending on the type of the counteranion,the structural studies revealed a variety of modes of bonding (N,N-bidentate/N,O,O,N-tetradentate), coordinationgeometries (tetrahedral/octahedral), and different nuclearities (monomer/polymer).Moreover, the density functional theory computational study in combinationwith several experimental techniques as well as the investigationof the extended structures allowed us to understand the role of thedifferent anions in the structure of the complexes. [ABSTRACT FROM AUTHOR]