Gold(i)-containing light-emitting molecules with an inverted singlet–triplet gap

Abstract

Substitution with gold(i)-containing moieties results in non-vanishing oscillator strengths and spin–orbit coupling leading to fast intersystem crossing in light-emitting heptazine derivates with an inverted singlet–triplet gap.

Novel Triangulenes: Computational Investigations of Energy Thresholds for Photocatalytic Water Splitting

“…Moreover, Olivier et al and others demonstrated that electron withdrawing and electron donating groups installed on the triangulene core can shift S 1 and T 1 excitation energies as well as their oscillator strengths. [63,64] The oscillator strengths to the S 1 states of 3 a, 4 a, 4 b and 4 c, are 1.0×10 À 3 , 1.6×10 À 3 , 1.3×10 À 3 and 2.7×10 À 3 , respectively. 3 a has the lowest oscillator strengths for excitation to S 1 .…”

Influence of plasmons on the luminescence properties of solvatochromic merocyanine dyes with different solvatochromism

“…An increase in k ISC may occur due to the heavy-atom effect when the molecule is close to the of the NP surface. 102…”

Internal conversion induced by external electric and magnetic fields

“…The interaction of electromagnetic fields with matter at the molecular level is one of the main tasks in photophysical studies 1–7 since the knowledge of the energies of electronic states and their lifetime are important for understanding molecular luminescence properties. 8–10 The energy of excited states can at low molecular concentration be converted to vibrational energy of lower-lying states by nonradiative transitions and to light by radiative intramolecular electronic transitions. 11 The intramolecular nonradiative electronic transitions are the internal conversion (IC) and the intersystem crossing (ISC).…”

“…The methods are applied to molecules that emit light in the infrared, red, green, blue, and ultraviolet range of the spectrum. The studied molecules are isophlorin ( ISO ), indocyanine green ( ICG ), pyromitene ( PM567 ) azaoxa 8 circulene ( 4B ), 2,2′′-dimethyl- p -terphenyl ( BM-Terphenyl ), 2-(4-Biphenylyl)-5-(4- t -butylphenyl)-1,3,4-oxadiazol ( BPBD-365 ) and 2-(1-Naphthyl)-5-phenyloxazol ( a-NPO ).…”