Search results for "Singlet"
showing 10 items of 352 documents
Bis(N-naphthyl-N-phenylamino)benzophenones as exciton-modulating materials for white TADF OLEDs with separated charge and exciton recombination zones
2022
Abstract Organic semiconductors were employed as exciton modulators, blue emitters, hole-transporting materials and hosts with resonant-appropriate singlet and triplet energies for efficient and stable white organic light emitting diodes (OLEDs). Two 4,4'-bis(N-naphthyl-N-phenylamino)benzophenones were synthesized using isomeric N-naphthyl-N-phenylamines as the donors and benzophenone as the acceptor moiety. Molecular design of new compounds allowed to obtain required combination of properties, i.e. blue prompt fluorescence in solid state with singlet energies close to those of the selected blue emitter exhibiting thermally activated delayed fluorescence (TADF), low triplet energies of 2.32…
Molecular and electronic structure of square-planar nickel(ii), nickel(iii) and nickel(iii)π-cation radical complexes with a tetradentate o-phenylene…
2005
The molecular and electronic structures of the electron transfer series of four-coordinate square-planar nickel complexes with the ligand o-phenylenebis(N'-methyloxamidate), [NiL]z (z = 2-, 1-, 0), have been evaluated by DFT and TDDFT calculations, and most of their experimentally available structural and spectroscopic properties (X. Ottenwaelder et al., Dalton Trans., 2005, DOI: 10.1039/b502478a) have been reasonably reproduced at the B3LYP level of theory. The anionic species [NiL]2- and [NiL]- are genuine low-spin nickel II and nickel III complexes with diamagnetic singlet (S = 0) and paramagnetic doublet (S = 1/2) states, respectively. The nickel III complex presents shorter Ni-N(amidat…
Enhancing triplet superconductivity by the proximity to a singlet superconductor in oxide heterostructures
2016
We show how in principle a coherent coupling between two superconductors of opposite parity can be realized in a three-layer oxide heterostructure. Due to strong intraionic spin-orbit coupling in the middle layer, singlet Cooper pairs are converted into triplet ones and vice versa. This results in a large enhancement of the triplet superconductivity, persisting well above the native triplet critical temperature.
Chemical and photochemical properties of chloroharmine derivatives in aqueous solutions
2015
Thermal and photochemical stability (ΦR), room temperature UV-vis absorption and fluorescence spectra, fluorescence quantum yields (ΦF) and lifetimes (τF), quantum yields of hydrogen peroxide (ΦH2O2) and singlet oxygen (ΦΔ) production, and triplet lifetimes (τT) have been obtained for the neutral and protonated forms of 6-chloroharmine, 8-chloroharmine and 6,8-dichloroharmine, in aqueous media. When it was possible, the effect of pH and oxygen concentration was evaluated. The nature of electronic transitions of protonated and neutral species of the three investigated chloroharmines was established using Time-Dependent Density Functional Theory (TD-DFT) calculations. The impact of all the fo…
Observational constraints on decoupled hidden sectors
2016
We consider an extension of the Standard Model with a singlet sector consisting of a real (pseudo)scalar and a Dirac fermion coupled with the Standard Model only via the scalar portal. We assume that the portal coupling is weak enough for the singlet sector not to thermalize with the Standard Model allowing the production of singlet particles via the freeze-in mechanism. If the singlet sector interacts with itself sufficiently strongly, it may thermalize within itself, resulting in dark matter abundance determined by the freeze-out mechanism operating within the singlet sector. We investigate this scenario in detail. In particular, we show that requiring the absence of inflationary isocurva…
Synthesis and photocytotoxic activity of [1,2,3]triazolo[4,5-h][1,6]naphthyridines and [1,3]oxazolo[5,4-h][1,6]naphthyridines
2018
Abstract [1,2,3]Triazolo[4,5-h][1,6]naphthyridines and [1,3]oxazolo[5,4-h][1,6]naphthyridines were synthesized with the aim to investigate their photocytotoxic activity. Upon irradiation, oxazolo-naphtapyridines induced light-dependent cell death at nanomolar/low micromolar concentrations (EC50 0.01–6.59 μM). The most photocytotoxic derivative showed very high selectivity and photocytotoxicity indexes (SI = 72–86, PTI>5000), along with a triplet excited state with exceptionally long lifetime (18.0 μs) and high molar absorptivity (29781 ± 180 M−1cm−1 at λmax 315 nm). The light-induced production of ROS promptly induced an unquenchable apoptotic process selectively in tumor cells, with mitoch…
Ketorolac beats ketoprofen: lower photodecarboxylation, photohemolysis and phototoxicity
2013
Ketorolac shows reduced photohemolytic activity and low phototoxicity against human skin fibroblasts when compared to ketoprofen. The low decarboxylation quantum yield together with the efficient non-radiative deactivation of the triplet and singlet excited states of ketorolac are believed to be responsible for this behaviour.
Quantum information processing on spin degrees of freedom in QDs placed in diluted magnetic semiconductor
2006
The spin degrees of freedom in quantum dot (QD) embedded in a diluted magnetic semiconductor (DMS) medium are considered in a model of a qubit and a gate for quantum information processing (QIP). The qubit is defined as a singlet and triplet pair of states of two electrons in a He-type QD in the DMS medium with strongly enhanced gyromagnetic factor. Methods of qubit rotation (Rabi oscillations) as well as two-qubit operations are suggested and analyzed. Moreover, decoherence related to spin waves (magnon-induced dephasing) in this new system (QD in DMS) is studied, and the relevant time-scale is estimated in accordance with preliminary experimental results. (© 2006 WILEY-VCH Verlag GmbH & C…
Baryogenesis in the two doublet and inert singlet extension of the Standard Model
2016
We investigate an extension of the Standard Model containing two Higgs doublets and a singlet scalar field (2HDSM). We show that the model can have a strongly first-order phase transition and give rise to the observed baryon asymmetry of the Universe, consistent with all experimental constraints. In particular, the constraints from the electron and neutron electric dipole moments are less constraining here than in pure two-Higgs-doublet model (2HDM). The two-step, first-order transition in 2HDSM, induced by the singlet field, may lead to strong supercooling and low nucleation temperatures in comparison with the critical temperature, $T_n \ll T_c$, which can significantly alter the usual pha…
Recombinant water-soluble chlorophyll protein from Brassica oleracea var. Botrys binds various chlorophyll derivatives.
2003
A gene coding for water-soluble chlorophyll-binding protein (WSCP) from Brassica oleracea var. Botrys has been used to express the protein, extended by a hexahistidyl tag, in Escherichia coli. The protein has been refolded in vitro to study its pigment binding behavior. Recombinant WSCP was found to bind two chlorophylls (Chls) per tetrameric protein complex but no carotenoids in accordance with previous observations with the native protein [Satoh, H., Nakayama, K., Okada, M. (1998) J. Biol. Chem. 273, 30568-30575]. WSCP binds Chl a, Chl b, bacteriochlorophyll a, and the Zn derivative of Chl a but not pheophytin a, indicating that the central metal ion in Chl is essential for binding. WSCP …