Search results for "Orbital"
showing 9 items of 679 documents
Strength of J(pi)=1(+) Gamow-Teller and isovector spin monopole transitions in double-beta-decay triplets
2014
In this work we study systematically the energetics and intensity distributions of Gamow-Teller (GT ± )and isovector spin monopole (IVSM ± ) transitions from the ground states of the pairs ( 76 Ge, 76 Se), ( 82 Se, 82 Kr), ( 100 Mo, 100 Ru), ( 116 Cd, 116 Sn), ( 128 Te, 128 Xe), ( 130 Te, 130 Xe), and ( 136 Xe, 136 Ba), of double-beta-decay initial and final nuclei, to the J π = 1 + excited states of the intermediate odd-odd nuclei 76 As, 82 Br, 100 Tc, 116 In, 128 , 130 I, and 136 Cs. We use a proton-neutron quasiparticle random-phase approximation (QRPA) theory framework with the Bonn-A two-body interaction in large no-core single-particle valence bases. Our studies indicate that the GT −…
Exotic Spin-Orbital Physics in Hybrid Oxides
2016
We compare the effective spin-orbital super\-exchange triggered by magnetic $3d$ impurities with $d^3$ and $d^2$ configurations and either no orbital degree of freedom (orbital dilution) or hole replacing a doublon (charge dilution) in a $4d^4$ Mott insulator with $S=1$ spins. Impurities causing orbital dilution act either as spin defects decoupled from the surrounding ions, or generate orbital polarons along $d^3$-$d^4$ hybrid bonds. The exchange on these bonds determines which orbital is occupied by a doublon on the host site. In case of charge dilution by $3d^2$ impurities additional $\propto T_i^+T_j^+$ terms arise which enhance orbital fluctuations. We show that such terms may radicall…
Evidence of a non-conservative mass transfer in the ultra-compact X-ray source XB 1916-053
2020
The dipping source XB 1916-053 is a compact binary system with an orbital period of 50 min harboring a neutron star. Using ten new {\it Chandra} observations and one {\it Swift/XRT} observation, we are able to extend the baseline of the orbital ephemeris; this allows us to exclude some models that explain the dip arrival times. The Chandra observations provide a good plasma diagnostic of the ionized absorber and allow us to determine whether it is placed at the outer rim of the accretion disk or closer to the compact object. From the available observations we are able to obtain three new dip arrival times extending the baseline of the orbital ephemeris from 37 to 40 years. From the analysis…
Wpływ podstawienia karbazolu pierścieniem fulwenowym na ich strukturę elektronową
2019
Na właściwości optoelektroniczne układów organicznych, w znacznym stopniu ma wpływ ich struktura elektronowa. Poznanie zatem czynników determinujących ich strukturę elektronową stanowi istotny punkt wyjścia w badaniach nad możliwościami potencjalnego ich zastosowania. Wśród wielu narzędzi, którymi można modyfikować π-elektronową delokalizację w układach aromatycznych jest efekt podstawnikowy. Rolę podstawników mogą również pełnić układy cykliczne a w szczególności te, które nie spełniają reguły Hückla, gdyż ich dążność do stanu aromatycznego, jest czynnikiem generującym ruch elektronów π w strukturach. Przykładem takiego pierścienia może być fulwen, który posiada 5 elektronów π i w miarę mo…
Rola efektu podstawnikowego w sprzężeniu π-elektronowym w N-podstawionym karbazolu
2019
Modyfikacja właściwości optoelektronowych materiałów organicznych w wielu przypadkach sprowadza się do wywołania zmian w ich strukturze elektronowej, a w szczególności w π-elektronowej delokalizacji w obrębie całej molekuły. Dużą uwagę zajmują w tych badaniach układy skondensowane zawierające pierścienie aromatyczne, niearomatyczne oraz hetero atomy. Do układów tych można zaliczyć, między innymi, karbazol i jego pochodne, który znajduje zastosowanie w organicznych materiałach optycznych i elektronowych. W niniejszej publikacji zaprezentowano wyniki z przeprowadzonych badań nad wpływem podstawienia pierścienia fulwenowego na atomie azotu oraz podstawników o zróżnicowanym charakterze elektron…
Synthesis, X-Ray Structure, Tautomerism Aspect, and Chemical Insight of The 3-(1H-Indol-2-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-ol
2021
The 3-(1H-indol-2-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-ol 2 was obtained exclusively in the enol configuration starting from triazolyl-indole derivative 1 and alkyl halo-esters in the presence of K2CO3. Chemical structure elucidations with the aid of physicochemical characterizations were used to predict its molecular structure while single crystal X-ray diffraction technique was used to shed the light on the supramolecular structure of 2. DFT calculations agreed very well with the reported X-ray structure where the most stable form thermodynamically is the enol form. Its optimized geometry agreed very well with the experimental structure where the correlation coefficients betwe…
Noninvasive neurostimulation methods for migraine therapy: The available evidence.
2016
Background Migraine is one of the most disabling neurological disorders. The current pharmacological armamentarium is not satisfying for a large proportion of patients because the responder rate does not exceed 50% on average and the most effective drugs often induce intolerable side effects. During recent years, noninvasive central and peripheral neuromodulation methods have been explored for migraine treatment. Overview A review of the available evidence suggests that noninvasive neuromodulation techniques could be beneficial for migraine patients. The transcranial stimulation methods allow modulating selectively cortical activity and can thus be curtailed to the patient’s pathophysiologi…
Highly Sensitive Polarization Rotation Measurement through a High‐Order Vector Beam Generated by a Metasurface
2020
The precise determination of the polarization state of light is fundamental for a vast variety of applications in remote sensing, astronomy, optics and terahertz technology, to name just a few. Typically, polarization characterization is performed by using a combination of multiple optical devices such as beam splitters, polarizers, and waveplates. Moreover, to achieve high-precision, balanced photodetectors and lock-in amplifiers are employed, thus contributing to increasing system complexity. Here, a technique for polarization rotation measurements with a dynamic range of 180° and a sensitivity of about 10−2 degrees is realized using a properly designed metasurface. Such device generates …
Conformational investigation of alpha,beta-dehydropeptides. IX. N-Acetyl-(E)-alpha,beta-methylamide: stereoelectronic properties from infrared and th…
1998
The Fourier transform infrared spectra of Ac-(E)-deltaAbu-NHMe were analyzed to determine the predominant solution conformation(s) of this (E)-alpha,beta-dehydropeptide-related compound and the electron density perturbation in its amide groups. The measurements were performed in dichloromethane and acetonitrile in the region of mode vs (N-H), amide I, amide II and vs (C(alpha)=Cbeta). The equilibrium geometrical parameters, calculated by a method based on the density functional theory with the B3LYP functional and the 6-31G* basis set, were used to support spectroscopic interpretation and gain some deeper insight into the molecule. The experimental and theoretical data were compared with th…