Quantum mechanical study on th e mechanism of coordination of indole derivatives to Palladium (II) Ions in Complexes

Binding of tryptophan residue to intrinsic metal ions in proteins is unknown, and very little is known about the coordinating abilities of indole. Indole-۳-acetamide displaces the solvent ligands from cis-[Pd(en)(sol)۲]۲+, in which sol is acetone or H۲O, in acetone solution and forms the complex cis-[Pd(en)(indole-۳-acetamide)]۲+ (۳) of spiro structure, in which the new bidentate ligand coordinates to the Pt(II) atom via the C(۳) atom of the indolyl group and the amide o xygen atom (Eq. (۱)) [۱]. In this work, we investigated this mechanism using the quantum mechanical approach.

کلیدواژه ها:

Mechanism ، indole derivatives ، Density functional theory ، Palladium (II) Ions