4938-45-8Relevant academic research and scientific papers
Crystal structures and DFT analysis of Palladium(II) complexes with Schiff bases derived from N,N-dialkyl-p-phenylenediamines
Sarto, Luís Eduardo,Badaró, Wladimir Pereira Duarte,de Gois, Elba Pereira,Barbosa, Marília Imaculada Fraz?o,Torres, Claudia,Viana, Rommel Bezerra,Honorato, Jo?o,Castellano, Eduardo Ernesto,de Almeida, Eduardo Tonon
, (2020)
Herein, new palladium(II) complexes with Schiff bases derived from salicylaldehyde and N,N-dialkyl-p-phenylenediamines were obtained. The ligands 2-((4-(N,N-dimethylamino)aniline)formimidoyl)phenol (N,N-metph-sOH - L1) and 2-((4-(N,N-diethylamino)aniline)formimidoyl)phenol (N,N-etph-sOH - L2) and complexes [Pd(N,N-metph-sO)2] (C1) and [Pd(N,N-etph-sO)2] (C2) were characterized by elemental analysis, infrared (IR) and UV–Vis spectroscopy, 1H and 13C nuclear magnetic resonance (NMR), thermogravimetry (TG) and differential thermal analysis (DTA), and the results agree with the proposed structures. The crystal structures data showed the formation of N,O-chelate with the pairs of phenolate O and imine N occupying the trans positions. Hirshfeld surface analysis was employed to elucidate the intermolecular contacts which drive the different supramolecular assemblies of C1 and C2. In addition, Density Functional Theory (DFT) calculations were also performed to better understand the electronic properties. Additional DFT calculations were also devoted to elucidate the stereochemistry of these palladium complexes toward the cis-trans isomerism among these square-planar Pd(II) N,O-Schiff base complexes. Time-dependent DFT (TD-DFT) analysis was applied to shed light on the nature of the electronic transitions determined in the UV–Vis spectra.
Qualitative analysis of the stability of the oxazine ring of various benzoxazine and pyridooxazine derivatives with proton nuclear magnetic resonance spectroscopy
Moloney,Craik,Iskander
, p. 692 - 697 (2007/10/02)
A series of 3,4-dihydro-1,3-benzoxazine and 3,4-dihydro-1,3-pyridooxazine derivatives was synthesized, and the hydrolysis of the derivatives was studied with proton nuclear magnetic resonance spectroscopy. The oxazine derivatives underwent various degrees of hydrolysis when H2O was added to dimethyl sulfoxide solutions of the compounds. The rates and extents of decomposition of the oxazine ring systems depended on the electronic effects of substituents within the molecules. Examination of the proton nuclear magnetic resonance spectra that were generated during decomposition of the oxazines and trends in stability of the oxazine derivatives suggest the formation of an intermediate in the hydrolysis mechanism.
Anomalies in the Reduction of the Schiff Bases 5-(Diethylamino)-2-(phenyliminomethyl)phenol and 2-phenol and Their Crystal Structures
Moloney, Gerard P.,Gable, Robert W.,Iskander, Magdy N.,Craik, David J.,Mackay, Maureen F.
, p. 99 - 107 (2007/10/02)
Two intermediate Schiff bases, 5-(diethylamino)-2-(phenyliminomethyl)phenol (1) and 2-phenol (2), were encountered which proved difficult to reduce to their corresponding secondary amines with sodium borohydride.X-Ray cr
