Spectroscopic, structure and DFT studies of palladium(II) complexes with pyridine-type ligands

Abstract

Five palladium(II) complexes with pyridine derivative ligands have been synthesized. The molecular structures of the complexes were determined by X-ray crystallography, and their spectroscopic properties were studied. Based on the crystal structures, computational investigations were carried out in order to determine the electronic structures of the complexes. The electronic spectra were calculated with the use of time-dependent DFT methods, and the electronic spectra of the transitions were correlated with the molecular orbitals of the complexes. The emission properties of the complexes have been examined.

Luminescence properties of palladium(II) phenanthroline derivative coordination compounds

“…For this reason, study of the electronic structures of such compounds is valuable as a means to the prediction of their properties. [18][19][20][21][22][23][24] The electronic structure strongly depends on the type of ligand and phenanthroline constitute a large group of the ligands affecting the luminescent properties of coordination compounds. Typical examples are ruthenium(II) and osmium(II) compounds containing polypyridine ligands such as 2,2'-bipiridine and/or 1,10-phenanthroline which are extensively studied over the last 60 years.…”

A ruthenium(II) hydride carbonyl complex with 4-phenylpyrimidine as co-ligand

“…Ligands containing pyrimidine rings are widely studied and their p-donor properties are interesting. Their combination with other donor atoms should in principle afford complexes with tunable spectroscopic properties [8][9][10]. The hydride ligand as a powerful r-donor is very efficient at compensating the electron deficiency at the metal center in hydride complexes.…”

Synthesis, Crystal Structures, and Properties of M(NCS)2‐3‐aminomethylpyridine Coordination Compounds (M = Cd, Zn)

“…[50][51][52][53][54] There is only one compound based on Pd, in which the 3-methylaminopyridine ligand is coordinated only via the pyridine N atom to the central metal atom. [55] …”