Search results for "SINGLET"
showing 10 items of 352 documents
Quark mass dependence of s-wave baryon resonances
2003
We study the quark mass dependence of $J^P = \frac12^-$ s-wave baryon resonances. Parameter free results are obtained in terms of the leading order chiral Lagrangian. In the 'heavy' SU(3) limit with $m_\pi =m_K \simeq $ 500 MeV the resonances turn into bound states forming two octets plus a singlet representations of the SU(3) group. A contrasted result is obtained in the 'light' SU(3) limit with $m_\pi =m_K \simeq $ 140 MeV for which no resonances exist. Using physical quark masses our analysis suggests to assign to the $S=-2$ resonances $\Xi(1690)$ and $\Xi(1620)$ the quantum numbers $J^P=1/2^-$.
Photochemistry of 3,6-bis(styryl)pyridazines in solution and in neat liquid crystalline phase—optical switching and imaging techniques
2008
Abstract 3,6-Bis(styryl)pyridazines 1a – f with 2–6 alkoxy groups show on irradiation in solution a stereoisomerization which leads to a photostationary state of ( E , E )- and ( E , Z )-isomer. Sensitizing and quenching experiments reveal that the ( E , E )→( E , Z ) route is a pure triplet process, whereas the ( E , Z )→( E , E ) route can have a minor singlet by-reaction. Hexyloxy or dodecyloxy chains on the terminal benzene rings convey the ( E , E )-isomers of compounds 1a , b , d – f thermotropic liquid crystalline properties. In particular S A , S C , and S F/I phases were studied with regard to their photochemical behavior. Depending on the system, photodegradation of the smectic ph…
DNA Oxidation Photoinduced by Norharmane Rhenium(I) Polypyridyl Complexes: Effect of the Bidentate N,N′-Ligands on the Damage Profile
2018
Re(I)--polypyridyl complexes have interesting and distinctive photochemical and photosensitizing properties. This work describes the capability to induce (or photoinduce) DNA damage of three Re(I)-complexes with a naturally occurring alkaloid called norharmane (nHo) as ligand: [Re(CO)₃ (nHo)(L)]CF₃ SO₃ where L=2,2'-bipyridine (ReBpy), phenanthroline (RePhen) or dipyrido[3,2-a:2',3'-c]phenazine (ReDppz). The interaction of the complexes with DNA was investigated by steady-state and time-resolved spectroscopy. Data show that the mode and strength of interaction depend on the chemical structure of the bidentate ligand. The complexes show a major static contribution to the overall interaction, …
Approximate solutions for two-level optimization problems
1988
This paper is devoted to general results for approximating two-level optimization problems in which the set of solutions to the lower level problem is not a singleton.
Comparison of the photoinductive properties of commercial, synthetic and soil-extracted humic substances
1997
Abstract The photochemical behavior of a fulvic acid (FA) and several humic acids (HAs) were studied. These synthetic, commercial or soils-extracted humic substances were compared according to their abilities to sensitize the formation of singlet oxygen and to photoinduce the transformation of aromatic compounds such as 2,4,6-trimethylphenol (TMP) and 1,1-dimethyl-3-phenylurea (fenuron). Singlet oxygen was detected by ESR experiments, and quantum yields of singlet oxygen formation were measured by using 1,2-difuranyl-2-hydroxyethanone (furion) as a probe molecule. The photoinductive capacities were evaluated from the kinetics of TMP and fenuron disappearance. The humic substances that showe…
Dibenzocycloheptatriene as end-group of Thiele and tetrabenzo-Chichibabin hydrocarbons
2020
The authors are grateful for the financial support from: MICIU/FEDER/AEI, Spain (PG2018-101181-B-I00, PGC2018-095808B-I00, MAT2016-80826-R, FIP-2018-HECTIC-PTM, Prometeo2019/076 and the "Severo Ochoa" Programme for Centres of Excellence in R & D; SEV-2015-0496), the European Research Council (ERC) (677023), DGR (Catalunya) (2017-SGR-918), and SNSF (Switzerland, TS., PZ00P2_174175). We thank the CSIRC-Alhambra and SciCore (Basel, Switzerland) for supercomputing facilities and the Servei de RMN, UAB, for instrument time.
Design of carborane molecular architectures with electronic structure computations: From endohedral and polyradical systems to multidimensional netwo…
2009
11 pags, 6 figs. -- 19th International Conference on Physical Organic Chemistry (ICPOC-19) 13–18 July 2008, Santiago de Compostela, Spain
A Computational Study of Two-State Conformational Changes in 16-Electron [CpW(NO)(L)] Complexes (L=PH3, CO, CH2, HCCH, H2CCH2)
1999
International audience; High-spin and low-spin [CpW(NO) (L)] complexes are calculated to be remarkably close in energy. Several critical conformational changes in the singlet compounds are predicted to proceed more readily by spin crossover to the triplet hypersurface. The relationships between spin state, π bonding, ligand orientation, and geometry at W are explored.
Density Functional Study of Spin State in CpM(NO)X2 (M = Mo, Cr; X = Cl, NH2, CH3): Spectrochemical and Nephelauxetic Effects in Organometallic Comp…
1998
International audience; The relationship between spin state and metal−ligand bonding interactions in CpM(NO)X2 species was investigated using density functional computational techniques. The geometries of CpM(NO)Cl2 (M = Cr, Mo), CpCr(NO)(NH2)X, and CpCr(NO)(CH3)X (X = Cl, CH3) were optimized at the DFT-B3LYP level for both the diamagnetic (S = 0) and paramagnetic (S = 1) electronic configurations. While the geometric parameters of the singlet compounds matched well with structures determined experimentally, the Cr−NO bond lengths in the triplet species exceeded the experimentally observed range by a significant margin, thereby indicating a propensity for nitrosyl-ligand dissociation from t…
Spin-Based Quantum Information Processing in Magnetic Quantum Dots
2005
We define the qubit as a pair of singlet and triplet states of two electrons in a He-type quantum dot (QD) placed in a diluted magnetic semiconductor (DMS) medium. The molecular field is here essential as it removes the degeneracy of the triplet state and strongly enhances the Zeeman splitting. Methods of qubit rotation as well as two-qubit operations are suggested. The system of a QD in a DMS is described in a way which allows an analysis of the decoherence due to spin waves in the DMS subsystem.