Rosnizam, Arif Naim published the artcilePalladium(II) complexes bearing N,O-bidentate Schiff base ligands: Experimental, in-silico, antibacterial, and catalytic properties, Category: esters-buliding-blocks, the publication is Journal of Molecular Structure (2022), 132821, database is CAplus.
Two N,O-bidentate ligands (1, 2), and their Pd(II) complexes, (1a, 2a) were synthesized and characterized via elemental anal., IR, 1H and 13C NMR, magnetic moment and UV-Visible spectroscopy. Single crystal x-ray diffraction revealed that 1a crystallized as a monoclinic system in P2(1)/c space group, where two ligand 1 moieties coordinate to one palladium(II) center through imine N and phenolic O donor atoms in a bis-bidentate manner, manifesting in a square planar geometry. The exptl. spectral data of 1 and 1a were in good agreement with the calculated ones obtained in gas phase and polarizable continuum model (PCM) at the B3LYP/LANL2DZ level of theory. The exptl. spectroscopic and Z-matrix data were also well reproduced with high correlation coefficients The intercontact between 1a complex units was determined through Hirshfeld surface anal. and electrostatic potentials (ESP) maps, showing that the most predominant interactions were H…H (53.4%), C…H (25.3%) and O…H (12.6%). 1 And 1a were screened in-vitro to evaluate their antibacterial activity against two Gram-pos. (S. aureus, S. haemolyticus) and two Gram-neg. (P. aeruginosa, S. sonnei) bacteria. The antibacterial results revealed that 1a exhibited slight activity against Gram-neg. bacteria, while the free ligand displayed no activity. The catalytic efficiency of 1a and 2a was evaluated in Mizoroki-Heck reaction of iodobenzene and Me acrylate, and Suzuki-Miyaura reaction of iodobenzene and phenylboronic acid. Both catalysts resulted in good conversion percentages with 1a showing a more superior performance.
Journal of Molecular Structure published new progress about 103-26-4. 103-26-4 belongs to esters-buliding-blocks, auxiliary class Alkenyl,Benzene,Ester,Protease,Tyrosinase,Natural product, name is Methyl 3-phenyl-2-propenoate, and the molecular formula is C10H10O2, Category: esters-buliding-blocks.
Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics