Synthesis, structural characterization, and theoretical analysis of novel zinc(ii) schiff base complexes with halogen and hydrogen bonding interactions.

ABSTRACT: In this article, we present the synthesis and characterization of three zinc(ii) complexes, [Zn^II(HL¹)₂] (1), [Zn^II(HL²)₂]·2H₂O (2) and [Zn^II(HL³)₂] (3), with three tridentate Schiff base ligands, H₂L¹, H₂L², and H₂L³. The structures of the complexes were confirmed by single-crystal X-ray diffraction analysis. DFT calculations were performed to gain insights into the self-assembly of the complexes in their solid-state structures. Complex 1 exhibits dual halogen-bonding interactions (Br⋯Br and Br⋯O) in its solid-state structure, which have been thoroughly investigated through molecular electrostatic potential (MEP) su

SUBMITTER: Gishan M 

PROVIDER: S-EPMC11430572 | biostudies-literature | 2024 Sep

REPOSITORIES: biostudies-literature