DFT/TD-DFT investigation on the UV–vis absorption and phosphorescence spectra of platinum(II) and palladium(II) complexes with Schiff-base ligands
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Luminescence"
DOI: 10.1016/j.jlumin.2019.02.030
Abstract: Abstract In this work, we studied the structural and optical properties of the three complexes: 2,3-bis[(4-diethylamino-2-hydroxybenzylidene)-amino]but-2-enedinitrile (Pd-1), 2,3-bis[(4 diethylamino-2-hydroxybenzylidene)-amino]but-2-enedinitrile (Pt-1), and 2,3-bis(3,3,9,9-tetramethyl-2-hydroxyjulolidine)but-2-enedinitrile (Pd-2) using DFT and TD-DFT methods. The electronic and geometrical structures of the… read more here.
Keywords: phosphorescence spectra; dft dft; investigation vis; phosphorescence ... See more keywords
New Insights To Simulate the Luminescence Properties of Pt(II) Complexes Using Quantum Calculations.
Sign Up to like & getrecommendations! Published in 2017 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.7b00103
Abstract: The present manuscript reports a thorough quantum investigation on the luminescence properties of three monoplatinum(II) complexes. First, the simulated bond lengths at the ground state are compared to the observed ones, and the simulated electronic… read more here.
Keywords: phosphorescence spectra; luminescence properties; insights simulate; luminescence ... See more keywords