Theory and calculation of the phosphorescence phenomenon

G Baryshnikov, B Minaev, H Ågren - Chemical reviews, 2017 - ACS Publications
Phosphorescence is a phenomenon of delayed luminescence that corresponds to the
radiative decay of the molecular triplet state. As a general property of molecules …

Principles of phosphorescent organic light emitting devices

B Minaev, G Baryshnikov, H Agren - Physical Chemistry Chemical …, 2014 - pubs.rsc.org
Organic light-emitting device (OLED) technology has found numerous applications in the
development of solid state lighting, flat panel displays and flexible screens. These …

Correlation function formalism for triplet excited state decay: combined spin–orbit and nonadiabatic couplings

Q Peng, Y Niu, Q Shi, X Gao… - Journal of Chemical Theory …, 2013 - ACS Publications
Based on the second-order perturbation combining spin–orbit and nonadiabatic couplings,
we derived an analytical formula for nonradiative decay rate between the triplet and singlet …

Predicting phosphorescent lifetimes and zero-field splitting of organometallic complexes with time-dependent density functional theory including spin–orbit coupling

K Mori, TPM Goumans, E Van Lenthe… - Physical Chemistry …, 2014 - pubs.rsc.org
The (photo) physical properties of organometallic complexes are crucially affected by
relativistic effects. In a non-or scalar-relativistic picture, triplet states are threefold …

Archetypal iridium (III) compounds for optoelectronic and photonic applications: photophysical properties and synthetic methods

JC Deaton, FN Castellano - Iridium (III) in optoelectronic and …, 2017 - Wiley Online Library
This chapter presents the photophysical properties and synthesis of the archetypal
complexes suitable for the applications of iridium (Ir) complexes. Ir (III) complexes bearing …

Theories of phosphorescence in organo-transition metal complexes–From relativistic effects to simple models and design principles for organic light-emitting diodes

BJ Powell - Coordination Chemistry Reviews, 2015 - Elsevier
We review theories of phosphorescence in cyclometalated complexes. We focus primarily
on pseudooctahedrally coordinated t 2 g 6 metals (eg,[Os (II)(bpy) 3] 2+, Ir (III)(ppy) 3 and Ir …

Correlating experimental photophysical properties of iridium (III) complexes to spin–orbit coupled TDDFT predictions

JM Younker, KD Dobbs - The Journal of Physical Chemistry C, 2013 - ACS Publications
Ir (III) complexes are efficient phosphorescent emitters. The transition dipole moment
between the triplet and singlet manifolds is formally spin forbidden. However, spin–orbit …

Intersystem-crossing and phosphorescence rates in fac-IrIII (ppy) 3: A theoretical study involving multi-reference configuration interaction wavefunctions

M Kleinschmidt, C Van Wüllen… - The Journal of chemical …, 2015 - pubs.aip.org
We have employed combined density functional theory and multi-reference configuration
interaction methods including spin–orbit coupling (SOC) effects to investigate the …

Observation of the room temperature phosphorescence of Bodipy in visible light-harvesting Ru (II) polyimine complexes and application as triplet photosensitizers for …

W Wu, J Sun, X Cui, J Zhao - Journal of Materials Chemistry C, 2013 - pubs.rsc.org
Two Ru (II) polyimine complexes containing a boron-dipyrromethene (Bodipy) chromophore
were prepared. The two complexes are different in the linker which connects the Bodipy part …

Tetradentate platinum (II) complexes cyclometalated with functionalized phenyl carbene ligands and their analogues

J Li, ZQ Zhu - US Patent 10,886,478, 2021 - Google Patents
7,501,190 B2 7,635,792 B1 7,655,322 B2 7,854,513 B2 7,947,383 B2 8,106,199 B2
8,133,597 B2 8,389,725 B2 8,617,723 B2 8,669,364 B2 8,778,509 B2 8,816,080 B2 …