Search results for "Fission"
showing 10 items of 421 documents
Interligand Electron Transfer Determines Triplet Excited State Electron Injection in RuN3−Sensitized TiO2 Films
2004
Electron injection from the transition metal complex Ru(dcbpy)(2)(NCS)(2) (dcbpy = 2,2'-bipyridine-4,4'-dicarboxylate) into a titanium dioxide nanoparticle film occurs along two pathways. The dominating part of the electron injection proceeds from the initially excited singlet state of the sensitizer into the conduction band of the semiconductor on the sub-hundred-femtosecond time scale. The slower part of the injection occurs from the thermalized triplet excited state on the picosecond time scale in a nonexponential fashion, as was shown in a previous study (Benko, G.; et al. J. Am. Chem. Soc. 2002, 124, 489). Here we show that the slower channel of injection is the result of the excited s…
STUDIEN ZUM VORGANG DER WASSERSTOFFÜBERTRAGUNG 621HERSTELLUNG UND ELEKTROREDUKTIVE SPALTUNG EINIGER ARYLDISULFONSÄUREDERIVATE
1982
Abstract Benzene-disulfonylchlorides were converted to the corresponding dialkyl-and diphenylesters, N-alkyl-and N-aryl disulfonamides. The half-wave-potentials E1/2 1 and E1/2 2 were measured and the products obtained on potentiostatic fission at E1/2 1 were isolated and characterized. The electroreduction of benzene-1,4-disulfonic acid-diphenylester in methanol yields phenol in a quantity approximately corresponding to the current passed, but no corresponding quantity of sulfinic acid. In dry acetonitrile, benzene-1,4-disulfonic acid diesters and diamides undergo potentiostatic fission (at E1/2 1) in good chemical and current yields, giving the corresponding monosulfonate-sulfinic acid or…
Low-energy decay pathways of doubly charged silver clusters $Ag_{n}^{2+}$ (n = 9 - 24)
1997
The low-energy dissociation channels of mass selected silver cluster ions Ag n 2+ (n = 9–24) are determined by collision induced dissociation (CID) in a Penning trap. While all clusters of the size n ≥ 17 evaporate neutral monomers, most smaller clusters undergo asymmetric fission of the form Ag n 2+ → Ag −3 + + Ag {3} + . However, Ag 15 2+ and Ag 11 2+ emit monomers which indicates shell or odd-even effects. The observed fragmentation pathways are different from previous reports of measurements with sputtered Ag n 2+ .
Singlet oxygen generation in PUVA therapy studied using electronic structure calculations
2009
Abstract The ability of furocoumarins to participate in the PUVA (Psoralen + UV-A) therapy against skin disorders and some types of cancer, is analyzed on quantum chemical grounds. The efficiency of the process relies on its capability to populate its lowest triplet excited state, and then either form adducts with thymine which interfere DNA replication or transfer its energy, generating singlet molecular oxygen damaging the cell membrane in photoactivated tissues. By determining the spin–orbit couplings, shown to be the key property, in the intersystem crossing yielding the triplet state of the furocoumarin, the electronic couplings in the triplet–triplet energy transfer process producing …
Excited states of [3.3](4,4')biphenylophane: the role of charge-transfer excitations in dimers with pi-pi interaction.
2010
The singlet and triplet electronic excitation manifold of [3.3](4,4')biphenylophane (BPP), an intramolecular dimer, and 4,4'-dimethylbiphenyl (DMBP), the corresponding monomer, has been analyzed by employing the approximate coupled-cluster singles and doubles model (CC2). The calculated triplet-triplet and singlet-singlet transient absorption spectra show good agreement with recent experimental results. The calculations suggest a strong interaction of the two biphenyl moieties of BPP in the first singlet and triplet excited states due to the overlapping pi-electron systems, and Forster-Dexter theory for weak coupling cannot be applied. Both the first excited singlet and triplet states of BP…
El enfermo de cáncer: una aproximación a su representación social O paciente de câncer: uma aproximação a suas representações sociais The cancer pati…
2010
Esta investigación tiene como objetivo el análisis de la representación social del cáncer y de los enfermos oncológicos en la población española. Para ello se entrevistaron a 200 sujetos elegidos mediante muestreo al azar. El método utilizado fue la realización de entrevistas estructuradas que contenían asociaciones libres de palabras ante términos estimulo y preguntas semicerradas. Las respuestas obtenidas son analizadas a partir de análisis descriptivos y análisis de contenido. Los resultados nos indican que existe una representación social del cáncer y del enfermo oncológico y que parte de ella sufre variaciones en función de la pertenencia a determinadas categorías o grupos sociales. Es…
Quantum chemical study on the population of the lowest triplet state of psoralen
2007
Abstract The efficient population of the low-lying triplet ππ * state of psoralen is studied with the quantum chemical CASPT2 method. Minima, singlet–triplet crossings, conical intersections, and reaction paths on the low-lying singlet and triplet states hypersurfaces of the system have been computed together with electronic energy gaps and spin–orbit coupling terms. A mechanism is proposed, favorable in the gas phase, for efficient deactivation of the initially populated singlet excited ππ * state, starting with an intersystem crossing with an n π * triplet state and evolving via a conical intersection toward the final lowest-lying ππ * triplet state, protagonist of the reactivity of psora…
On the intrinsic population of the lowest triplet state of uracil
2007
Abstract From CASPT2//CASSCF quantum-chemical computations it is determined that the lowest triplet state of uracil can be efficiently populated from the initially activated singlet manifold through respective singlet–triplet crossings of the singlet state with the low-lying 3nπ∗ state at 4.6 eV and with the lowest 3ππ∗ state at 4.2 eV located along the minimum energy path of the low-lying 1ππ∗ state. Large spin–orbit coupling elements predict, in particular for the former case, efficient intersystem crossing processes. The wavelength dependence measured for the triplet quantum yield can be explained by the location of the singlet–triplet crossing regions.
Structure of superheavy nuclei along decay chains of element 115
2014
[Introduction] A recent high-resolution α , X -ray, and γ -ray coincidence-spectroscopy experiment offered the first glimpse of excitation schemes of isotopes along α -decay chains of Z = 115. To understand these observations and to make predictions about shell structure of superheavy nuclei below 288 115, we employ two complementary mean-field models: the self-consistent Skyrme energy density functional approach and the macroscopic-microscopic Nilsson model. We discuss the spectroscopic information carried by the new data. In particular, candidates for the experimentally observed E 1 transitions in 276 Mt are proposed. We find that the presence and nature of low-energy E 1 transitions in w…
Rede social: desvendando a teia de relações interpessoais da nutriz
2010
Made available in DSpace on 2021-07-14T10:24:56Z (GMT). No. of bitstreams: 0 Previous issue date: 2010. Added 1 bitstream(s) on 2021-07-14T11:29:38Z : No. of bitstreams: 1 S0103-73312010000100014.pdf: 716466 bytes, checksum: ff16f6f6874f651993d113afe7d46816 (MD5) Este é um estudo qualitativo que se refere à relação da rede social e a amamentação. Como fundamentação teórica, utilizou-se a Teoria da Rede Social de Sanicola, bem como a Teoria das Representações Sociais descrita por Moscovici e Minayo. Participaram do estudo mães, pais e avós, de crianças até dois anos, residentes no município de Coimbra-MG. A análise compreensiva da rede social da nutriz revelou que esta pode oferecer apoio/su…