Search results for "TRIPLE"
showing 10 items of 506 documents
Bright and stable light-emitting electrochemical cells based on an intramolecularly π-stacked, 2-naphthyl-substituted iridium complex
2014
The synthesis and characterization of a new cationic bis-cyclometallated iridium(III) complex and its use in solid-state light-emitting electrochemical cells (LECs) are described. The complex [Ir(ppy)2(Naphbpy)][PF6], where Hppy = 2-phenylpyridine and Naphbpy = 6-(2-naphthyl)-2,2′-bipyridine, incorporates a pendant 2-naphthyl unit that π-stacks face-to-face with the adjacent ppy− ligand and acts as a peripheral bulky group. The complex presents a structureless emission centred around 595–600 nm both in solution and in thin film with relatively low photoluminescence quantum yields compared with analogous systems. Density functional theory calculations support the charge transfer character of…
Photoluminescence spectral dispersion as a probe of structural inhomogeneity in silica
2011
We perform time-resolved photoluminescence measurements on point defects in amorphous silicon dioxide (silica). In particular, we report data on the decay kinetics of the emission signals of extrinsic oxygen deficient centres of the second type from singlet and directly excited triplet states, and we use them as a probe of structural inhomogeneity. Luminescence activity in sapphire (alpha-Al(2)O(3)) is studied as well and used as a model system to compare the optical properties of defects in silica with those of defects embedded in a crystalline matrix. Only for defects in silica did we observe a variation of the decay lifetimes with emission energy and a time dependence of the first moment…
Luminescence activity of surface and interior Ge-oxygen deficient centers in silica
2005
We report a comparative study on the optical activity of surface and interior Ge–oxygen deficient centers in pressed porous and sol–gel Ge-doped silica, respectively. The experimental approach is based on the temperature dependence of the two photoluminescence bands at 4.2 (singlet–singlet emission, S1! S0) and 3.1 eV (triplet–singlet emission, T1! S0), excited within the absorption band at about 5 eV. Our data show that the phonon assisted intersystem crossing process, linking the two excited electronic states, more effective for surface than for interior centers in the temperature range 5–300 K. For both centers, a distribution of the activation energies of the process is found. Based on th…
"Table 4" of "Quasi-free Compton Scattering and the Polarizabilities of the Neutron"
2003
Energy dependence of the triple differential cross section w.r.t. the scattered neutron.
"Table 3" of "Quasi-free Compton Scattering and the Polarizabilities of the Neutron"
2003
Energy dependence of the triple differential cross section w.r.t. the scattered proton.
Averages of $b$-hadron, $c$-hadron, and $\tau$-lepton properties as of summer 2016
2017
This article reports world averages of measurements of $b$-hadron, $c$-hadron, and $\tau$-lepton properties obtained by the Heavy Flavor Averaging Group using results available through summer 2016. For the averaging, common input parameters used in the various analyses are adjusted (rescaled) to common values, and known correlations are taken into account. The averages include branching fractions, lifetimes, neutral meson mixing parameters, \CP~violation parameters, parameters of semileptonic decays and CKM matrix elements.
Nearest-neighbor Ising antiferromagnet on the fcc lattice: Evidence for multicritical behavior.
1996
The phase behavior of the Ising model with nearest-neighbor antiferromagnetic interactions on the fcc lattice in a homogeneous magnetic field is studied by means of large-scale Monte Carlo simulations. In accordance with the most recent of the previous investigations, but with significantly higher accuracy, it is found that the ``triple'' point at which the disordered phase coexists with both the AB phase as well as with the ${\mathit{A}}_{3}$B phase (corresponding to the model's lattice gas interpretation as a binary alloy ${\mathit{A}}_{\mathit{xB}1\mathrm{\ensuremath{-}}\mathit{x}}$ such as ${\mathrm{Cu}}_{\mathit{x}}$${\mathrm{Au}}_{1\mathrm{\ensuremath{-}}\mathit{x}}$) occurs at a nonz…
Closed-shell coupled-cluster theory with spin-orbit coupling
2008
A two-component closed-shell coupled-cluster (CC) approach using relativistic effective core potentials with spin-orbit coupling included in the post-Hartree-Fock treatment is proposed and implemented at the CC singles and doubles (CCSD) level as well as at the CCSD level augmented by a perturbative treatment of triple excitations [CCSD(T)]. The latter invokes as an additional approximation the neglect of the occupied-occupied and virtual-virtual blocks of the spin-orbit coupling matrix in order to avoid the iterative N(7) steps in the treatment of triple excitations. The computational effort of the implemented two-component CC methods is about 10-15 times that of its corresponding nonrelat…
On the convergence of perturbative coupled cluster triples expansions:Error cancellations in the CCSD(T) model and the importance of amplitude relaxa…
2015
Recently, we proposed a novel Lagrangian-based perturbation series-the CCSD(T-n) series-which systematically corrects the coupled cluster singles and doubles (CCSD) energy in orders of the Møller-Plesset fluctuation potential for effects due to triple excitations. In the present study, we report numerical results for the CCSD(T-n) series up through fourth order which show the predicted convergence trend throughout the series towards the energy of its target, the coupled cluster singles, doubles, and triples (CCSDT) model. Since effects due to the relaxation of the CCSD singles and doubles amplitudes enter the CCSD(T-n) series at fourth order (the CCSD(T-4) model), we are able to separate th…
Similar chemical structures, dissimilar triplet quantum yields: a CASPT2 model rationalizing the trend of triplet quantum yields in nitroaromatic sys…
2019
The photophysics of nitroaromatics compounds stand out for being characterized by an ultrafast decay into the triplet manifold and by a significant value of the triplet quantum yield. The latter quantity can change dramatically from one system to another, as proven for the molecules 2- nitronaphthalene, 1-nitronaphthalene, and 2methyl-1nitronaphthale, whose triplet quantum yield have been previously measured to be 0.93 ± 0.15, 0.64 ± 0.12, and 0.33 ± 0.05, respectively (J. Phys. Chem. A 2013, 117, 14100). In the present contribution we rationalize the reported trend for the triplet quantum yield on the basis of the different ability that the excited S 1 state has in the three molecules to r…