Organic semiconducting materials play an important role in the fabrication of high
... The estimation of the HOMO and LUMO energies can be calculated as: ... In
this study, the characteristics of charge transport of all complexes 1a–3a and ...
usually display a diradical character in which open-shell singlet states could be ...
Feb 15, 2011 ... The pH-independent multiple reduction energies for Ru(III/II), .... by natural bond
orbital (NBO) analysis of the density matrix obtained from BP86 single point
calculations. ... An important character of the transition metal ion is their ability to
.... metal-based dyz orbital of ruthenium(III) center (β-LUMO) (see Fig.
Hard Lewis acids are characterized by small ionic radii, high positive charge,
strongly ... According to FMO analysis, the interactions between acids and bases
are ... Greater the energy gap between the HOMO & LUMO, harder is the species.
.... Symbiotic effect: The hard-soft character of the metal ion is altered by the other
Tuning the photophysical properties of cationic iridium(III) complexes ... been
synthesized as the hexafluoridophosphate salts and fully characterized. ... The
role of inter- and intramolecular face-to-face π-stacking in the solid state is
discussed. ... metal-to-ligand/ligand-to-ligand charge transfer (MLCT/LLCT)
character for the ...
Jul 16, 2015 ... The synthesis, characterization and evaluation in solid-state devices of a series
of 8 ... In LEECs the iTMC accomplishes several functions including: ... tune the
emission energy to the red in cationic iridium(III) complexes despite .... owing to
the mesomeric electron donating character of the methoxy group.
Dec 23, 2016 ... The strong electron‐withdrawing character of 5,15‐meso‐ester groups was ...
and characterization of four new phosphorus(V) 5,15‐diester corroles, ..... and the
two lowest unoccupied molecular orbitals (LUMOs) involved in the .... a PC with
the BAS100W software (v2.3). A three‐electrode system with a Pt ...
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