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Catalytic activity of a new Ru(ii) complex for the hydrogen transfer reaction of acetophenone and N-benzylideneaniline: synthesis, characterization and relativistic DFT approaches
(2019)
The synthesis and characterization of a new ruthenium(ii) complex containing a hemilabile P<^>N-ligand are reported. The catalytic activity of this complex was evaluated in the hydrogen transfer reaction of acetophenone ...
Theoretical exploration of seleno and tellurophenols as promising alternatives to sulfur ligands for anchoring to gold (111) materials
(Royal Soc. Chemistry, 2016)
It is widely known that sulfur ligands, such as alkanethiols or phenothiols and their derivatives, are useful anchor systems for gold materials due to the high affinity of sulfur to gold surfaces. In this study we use DFT ...
Axial ligand influence on geometries, charge distributions and electronic structures of iron tetraazamacrocycle [Fe((II))TIM(X)(Y)](2+) complexes assessed by Density Functional Theory
(PERGAMON-ELSEVIER SCIENCE LTD, 2011)
We employed the Density Functional Theory along with small basis sets, B3LYP/LANL2DZ, for the study of FeTIM complexes with different pairs of axial ligands (CO, H(2)O, NH(3), imidazole and CH(3)CN). These calculations did ...
Charge transfer circular dichroism of complexes of copper(II) with aminoacids and heterocyclic ligands
(Pergamon Press, 1975)
In the u.v. region the C.D. spectra of mixed complexes of Cu(II), aminoacids and heterocyclic ligands depend upon the nature of the heterocyclic ligand, and work on the Cotton effects of bis-Ł-aminoacidates of cu(II) in ...
Elucidating the energy transfer process in mononuclear and binuclear lanthanide complexes of the anti-inflammatory drug ibuprofen: From synthesis to high luminescence emission
(2017-01-01)
This work presents the synthesis, solid state characterization and complete photoluminescence study of three new important classes of lanthanide complexes containing the non-steroidal anti-inflammatory drug (NSAID) Ibuprofen. ...
Influence of ligand structure and molecular geometry on the properties of d(6) polypyridinic transition metal complexes
(ELSEVIER, 2006-07-11)
Different strategies to improve the excited state properties of polypyridinic complexes by varying ligand structure and molecular geometry are described. Bidentate and tetradentate ligands based on fragments as ...
Fluorescent Ligands and Energy Transfer in Photoactive Ruthenium–Bipyridine Complexes
(American Chemical Society, 2014-07)
Ruthenium bis(bipyridine) complexes have proved to be useful as phototriggers for visible and IR-light photodelivery of molecules. They usually expel one ligand heterolytically upon absorption of blue or green light. ...
ASYMMETRIC TRANSFER HYDROGENATION OF KETONES IN AQUEOUS SOLUTION CATALYZED BY RHODIUM (III) COMPLEXES WITH C2-SYMMETRIC FLUORENE-LIGANDS CONTAINING CHIRAL (1R, 2R)-CYCLOHEXANE-1, 2-DIAMINE
(Journal of the Brazilian Chemical Society, 2019)