Search results for "STATES"
showing 10 items of 1532 documents
catena-[µ-Tris(1,2-bis(tetrazol-1-yl)ethane-N4,N4')iron(II)] bis(tetrafluoroborate): synthesis, structure, spectroscopic and magnetic characterizatio…
2002
In analogy to a common synthesis of 1-substituted 5-H tetrazoles (Tetrahedron Lett. 36 (1995)1759; Beloruss. Gos. Univ., Minsk, USSR. Khim. Geterotsikl. Soedin. 11 (1985) 1521; Beloruss. Gos. Univ., Minsk, USSR. Khim. Geterotsikl. Soedin. 1 (1991) 66; BGU, Belarus. Vestsi Akad. Navuk Belarusi, Ser. Khim. Navuk 1 (1992) 73), the new bidentate ligand 1,2-bis(tetrazol-1-yl)ethane [endi] was synthesized and characterized by X-ray diffraction, NMR, IR and UV–Vis spectroscopy. By using iron(II) tetrafluoroborate hexahydrate the complexation with this ligand yields a 1-dimensional linear coordination polymer similar to the recently published chain compound (Inorg. Chem. 39 (2000) 1891) exhibiting …
The first-principles treatment of the electron-correlation and spin-orbital effects in uranium mononitride nuclear fuels.
2012
The DFT+U calculations were employed in a detailed study of the strong electron correlation effects in a promising nuclear fuel-uranium mononitride (UN). A simple method for solving the multiple minima problem in DFT+U simulations and insure obtaining the correct ground state is suggested and applied. The crucial role of spin-orbit interactions in reproduction of the U atom total magnetic moment is demonstrated. Basic material properties (the lattice constants, the spin- and total magnetic moments on U atoms, the magnetic ordering, and the density of states) were calculated varying the Hubbard U-parameter. By varying the tetragonal unit cell distortion, the meta-stable states have been care…
Quantum dynamics of the intensity-dependent Tavis-Cummings model
1999
An exactly solvable generalization of the intensity-dependent Jaynes-Cummings model to the case of N0 atoms is introduced together with its solution. The quantum dynamics of the model including the squeezing properties of the su(1,1) Perelomov and Glauber coherent states is investigated. The cases of one and two atoms present in the cavity are analysed in detail. These two cases are compared in the situation when the atomic subsystem is initially prepared in the ground state, the Dicke state and the state of thermal equilibrium.
The Two‐Step Spin Conversion in a Supramolecular Triple Helicate Dinuclear Iron(II) Complex Studied by Mössbauer Spectroscopy
2006
The triple helicate dinuclear iron(II) complex, [Fe-2(L)(3)](ClO4)(4)center dot 2H(2)O (1), previously reported by Tuna et al. (Chem. Eur. J. 2004, 10, 5737), was prepared and characterised by detailed SQUID and Fe-57 Mbssbauer measurements. Compound 1 exhibits a thermochromic two-step spin conversion at T-SC((1)) ca. 240 K and T-SC((2)) ca. 120 K, but does not switch its spin state further below 20 K as proven by Mossbauer spectroscopy. The sharp variation of the susceptibility below 20 K is due to zero-field splitting of the remaining iron(II) high-spin species. Applied field Fe-57 Mossbauer spectroscopy experiments at 4.2 K indicate that the gradual thermal spin conversion from [HS-HS] p…
DFT study on the cycloreversion of thietane radical cations.
2011
The molecular mechanism of the cycloreversion (CR) of thietane radical cations has been analyzed in detail at the UB3LYP/6-31G* level of theory. Results have shown that the process takes place via a stepwise mechanism leading to alkenes and thiobenzophenone; alternatively, formal [4 + 2] cycloadducts are obtained. Thus, the CR of radical cations 1a, b(center dot+) is initiated by C2-C3 bond breaking, giving common intermediates INa,b. At this stage, two reaction pathways are feasible involving ion molecule complexes IMCa,b (i) or radical cations 4a,b(center dot+) (ii). Calculations support that 1a(center dot+) follows reaction pathway (leading to the formal [4 + 2] cycloadducts 5a). By cont…
Thermal and Light-Induced Spin Transition in [Fe(bpen)X2] (bpen = 1,6-Bis(2-pyridyl)-2,5-diazahexane, X = NCS-, NCSe-)
1996
The thermal and light-induced spin transitions in [Fe(bpen)(NCS)2] and [Fe(bpen)(NCSe)2] have been investigated by means of magnetic susceptibility and Mossbauer measurements. The HS → LS transition in [Fe(bpen)(NCS)2] is detected at temperatures below 120 K (T1/2 [when the fraction of high-spin species γHS = 0.5] = 68 K) with a residual HS fraction of 8% at 20 K. The transition is fairly abrupt and no hysteresis is observed, in contrast to earlier studies (ref. [8]). The generation of metastable HS states in [Fe(bpen)(NCS)2] is achieved by rapid cooling of the sample and by irradiating the compound at low temperatures with light of appropriate wavelengths (LIESST). The HS → LS relaxation o…
Detoxifying antitumoral drugs via nanoconjugation: the case of gold nanoparticles and cisplatin
2021
Nanoparticles (NPs) have emerged as a potential tool to improve cancer treatment. Among the proposed uses in imaging and therapy, their use as a drug delivery scaffold has been extensively highlighted. However, there are still some controversial points which need a deeper understanding before clinical application can occur. Here the use of gold nanoparticles (AuNPs) to detoxify the antitumoral agent cisplatin, linked to a nanoparticle via a pH-sensitive coordination bond for endosomal release, is presented. The NP conjugate design has important effects on pharmacokinetics, conjugate evolution and biodistribution and results in an absence of observed toxicity. Besides, AuNPs present unique o…
Practitioner views of goodwill accounting under US GAAP
2020
PurposeAccounting standards for goodwill may intensify the agency conflict. Since auditors evaluate intangible asset valuations, this study examines to what extent being an auditor (including Big 4 auditors) and being female as indicators of professional skepticism and conservatism predict accounting professionals' critical views of goodwill accounting under US GAAP.Design/methodology/approachStatistical analyses of a survey of accounting professionals in the Pacific Northwest region of the United States.FindingsThe respondents' views are dispersed from trust in GAAP to views reflecting management opportunism in goodwill accounting. While being an auditor (including Big 4 auditors) does not…
La creación de un nuevo orden público europeo en materia de privacidad como presupuesto para su garantía integral
2021
espanolLa normativa reciente en materia de proteccion de datos asi como los pronunciamientos del Tribunal de Justicia de la Union Europea en la cuestion y del Tribunal Europeo de Derechos Humanos sobre el derecho a la vida privada, refuerzan la idea de la existencia de un orden publico europeo distinto del orden publico interno e internacional de cada Estado miembro. En este sentido, se ha venido conformando una estrategia comunitaria y un orden publico europeo en torno a la concepcion de la vida intima y familiar y, en particular, al propio concepto de privacidad, cuyo alcance y significacion difiere de la conceptualizacion que, sobre estos elementos, se ha venido realizando por la doctrin…
A model for the γN → ππN reaction
1996
We have studied the γN → ππN reaction using a model wich includes N, Δ(1232), N*(1440) and N*(1520) intermediate baryonic states and the ρ-meson as a intermediate ππ resonance. The model reproduces fairly well experimental cross sections below Eγ=800 MeV and invariant-mass distributions even at higher energies. One of the interesting findings of study is what the γN → N*(1520) → Δπ process is very important and interferes strongly with the dominant Δ-Kroll-Ruderman term to produce the experimental peak of the kross section. Oset Baguena, Eulogio, Eulogio.Oset@ific.uv.es