Donor-bridge-acceptor triads consisting of the Alq3 complex, oligofluorene bridge, and PtII tetraphenylporphyrin (PtTPP) were synthesized. The triads were designed to study the energy level/distance-dependence in energy transfer both in a solution and in solid state. The materials show effective singlet transfer from the Alq3-fluorene fluorophore to the porphyrin, while the triplet energy trans...

THE TITLE COMPOUND [SYSTEMATIC NAME: (2S*,3S*,4R*,5R*,9S*,11S*,15R*)-5,15-diacet-oxy-3-nicotino-yloxy-14-oxolathyra-6(17),12(E)-diene], C(30)H(37)NO(7), was isolated from the seeds of Euphorbia lathyris. The tricyclic diterpenoid molecule contains an 11-membered ring, a five-membered ring exhibiting an envelope conformation and a three-membered ring. The 11-membered ring is cis-fused with the t...

The electronic state orderings and energies of heteroaryl oxenium ions were computed using high-level CASPT2//CASSCF computations. We find that these ions have a number of diverse, low-energy configurations. Depending on the nature of the heteroaryl substituent, the lowest-energy configuration may be open-shell singlet, closed-shell singlet, or triplet, with further diversity found among the su...

The population of the lowest triplet state of thymine after near-UV irradiation has been established, on the basis of CASPT2//CASSCF quantum chemical calculations, to take place via three distinct intersystem crossing mechanisms from the initially populated singlet bright 1pipi* state. Two singlet-triplet crossings have been found along the minimum-energy path for ultrafast decay of the singlet...

Thermally activated delayed fluorescence (TADF) of 12C70 and 13C70 was observed up to 140 °C in a p-tert-butyldihomooxacalix[4]arene solid matrix, a temperature range significantly higher than that of previous TADF quantitative studies. An effective singlet-triplet energy gap of 29 kJ/mol and triplet formation quantum yields of 0.97 and 0.99 were measured for 12C70 and 13C70, respectively. The ...

Carotenoid spheroidene (SPO) functions for photoprotection in the photosynthetic reaction centers (RCs) and effectively dissipates its triplet excitation energy. Sensitized cis-to-trans isomerization was proposed as a possible mechanism for a singlet-triplet energy crossing for the 15,15'-cis-SPO; however, it has been questioned recently. To understand the dissipative photoprotective mechanism ...

We present a detailed numerical analysis of the low-energy excitation spectrum of a frustrated and dimerized spin S51/2 Heisenberg chain. In particular, we show that in the commensurate spin-Peierls phase the ratio of the singlet and triplet excitation gap is a universal function which depends on the frustration parameter only. We identify the conditions for which a second elementary triplet br...

Based on five-level rate-equation theory, we develop the laser-pulse-duration dependence of two-photon-absorption-induced singlet and triplet excited-state absorptions (ESAs). We present analytical expressions for the effective three-photon absorption coefficients caused by both singlet and triplet ESAs under the pulsed excitation on time scales from femtoseconds to microseconds. We demonstrate...

Endogenous chromophores in human skin, when exposed to sunlight, generate harmful reactive oxygen species (ROS). Protoporphyrin IX (PpIX) is one of the common chromophores in human tissue. A series of aromatic cyanoacrylates were tested as quenchers of excited singlet and triplet states of PpIX. While the diaryl cyanoacrylate () did not quench excited singlet or triplet states of PpIX, some cya...