Synthesis and Characterization of New Mixed-Ligand Complexes; Density Functional Theory, Hirshfeld, and In Silico Assays Strengthen the Bioactivity Performed In Vitro.

ABSTRACT: N'-Acetyl-2-cyanoacetohydrazide (H₂L¹) and 2-cyano-N-(6-ethoxybenzo thiazol-2-yl) acetamide (HL²) ligands were used to synthesize [Cr(OAc)(H₂L¹)(HL²)]·2(OAc) and [Mn(H₂L¹)(HL²)]·Cl₂·2H₂O as mixed ligand complexes. All new compounds were analyzed by analytical, spectral, and computational techniques to elucidate their chemical formulae. The bidentate nature was suggested for each coordinating ligand via ON donors. The electronic transitions recorded are attributing to ⁴A₂g(F) → ⁴T₂g(F)(υ₂) and ⁴A₂g(F) → ⁴T₁g(F)(υ₃) types in the octahedral Cr(III) com

SUBMITTER: Alhazmi FS 

PROVIDER: S-EPMC9893480 | biostudies-literature | 2023 Jan

REPOSITORIES: biostudies-literature