Synthesis, spectroscopic characterization, crystal structure and theoretical investigation of two azo-palladium (II) complexes derived from substituted (1-phenylazo)-2-naphtol
| Autor: | DjamilAzeddine Rouag, Souheila Chetioui, Bachir Zouchoune, Salah-Eddine Bouaoud, Hocine Merazig, Jean-Pierre Djukic |
|---|---|
| Přispěvatelé: | Université Mentouri Constantine [Algérie] (UMC) |
| Rok vydání: | 2020 |
| Předmět: |
Pd(II) complexes
Absorption spectroscopy Chemistry Ligand X-ray crystal structures Metals and Alloys chemistry.chemical_element Electronic structure Crystal structure [CHIM.INOR]Chemical Sciences/Inorganic chemistry DFT calculations 010403 inorganic & nuclear chemistry 01 natural sciences 0104 chemical sciences Characterization (materials science) Catalysis Inorganic Chemistry Crystallography chemistry.chemical_compound UV-Vis spectra 2 [CHIM.CRIS]Chemical Sciences/Cristallography Materials Chemistry [CHIM]Chemical Sciences Organometallic chemistry Palladium |
| Zdroj: | Transition Metal Chemistry. 46:91-101 |
| ISSN: | 1572-901X 0340-4285 |
| DOI: | 10.1007/s11243-020-00425-5 |
| Popis: | The ortho-substituted (E)-1-((2-methoxyphenyl)diazenyl)naphthalen-2-ol and the meta-substituted (E)-1-((3-methoxyphenyl)diazenyl)naphthalen-2-ol were, respectively, used in the synthesis of two new complexes, bis[1-(2-methoxyphenylazo)-2-naphthoxy]palladium(II) and bis[1-(3-methoxyphenylazo)-2-naphthoxy]palladium(II), noted (I) and (II), respectively. (I) and (II) were characterized by physicochemical and spectroscopic methods, and their molecular structures were determined by X-ray crystallography. Both complexes display a square-planar geometry, which is reproduced by full geometry optimizations at the DFT/B3LYP level. Calculations were also performed on the free ligands (in their precursor form), as well as their para-substituted isomer (E)-1-((4-methoxyphenyl)diazenyl)naphthalen-2-ol and its hypothetical complex bis[1-(4-methoxyphenylazo)-2-naphthoxy]palladium(II) (compound (III). Calculations were also performed on the free p-phenylazo-2-naphthol ligand (p-MoxyPhNap), in order to understand their bonding and to analyze their electronic structure. TD-DFT calculations were also performed on the three complexes to simulate their absorption spectra from and compare to the experimental UV–Vis data of (I) and (II). The main peaks in the spectrum of (I) are assigned to mixed LMCT/LLCT and π–π * (ILCT) transition, while the unique major peak afforded by (II) is assigned to MLCT and LLCT transitions. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
|
Full text from SpringerLink