نتایج جستجو برای: high spin state
تعداد نتایج: 2856353 فیلتر نتایج به سال:
We combine ultrafast optical spectroscopy with femtosecond X-ray absorption to study the photo-switching dynamics of the [Fe(PM-AzA)2(NCS)2] spin-crossover molecular solid. The light-induced excited spin-state trapping process switches the molecules from low spin to high spin (HS) states on the sub-picosecond timescale. The change of the electronic state (<50 fs) induces a structural reorganiza...
High-resolution electronic excitation spectra of the 0: and the 9; bands of the near-UV electronic transition of the ethoxy radical have been recorded. The ethoxy radical was produced in a free-jet expansion by photodissociation of ethyl nitrite (CzHsONO). Both spectra have a linewidth of about 400 MHz. A complete rotational analysis of the spectrum indicates that the electronic transition of e...
in the present work we use the negativity to study the effect of rashba parameter on the thermal entanglement ofelectronic spin and subband states inside a quasi-one-dimensional rashba nanowire, in a perpendicular uniformmagnetic field. we assume that the nanowire is held at a temperature t, so that both spin and subband states, withdefinite probabilities, are present. the partially transposed ...
We report here computed spin-state energies and UV-Vis spectra for several transition metal complexes with a triazacyclononane ligand. Our results show that the spin ground-state is correctly obtained with either OPBE or SSB-D, except for the high-spin ground-state of the Co(ii) complex that was properly described only by SSB-D. The UV-Vis spectra from TD-DFT reproduce in general rather well th...
The adsorption sites of O2 on neutral PdN clusters (N = 1–4) were studied using spin density functional theory. Only for Pd1O2 molecular adsorption is found to be favorable. For Pd2–4O2 dissociative adsorption with the oxygen sitting on Pd bridge sites is preferred. Most Pd clusters remain in the same high spin states found for pure gas phase Pd clusters. Only the ground state of Pd4O2 increase...
The dimethylammonium salt of the FeII polyanionic trimer [Fe3(μ-L)6(H2O)6]6 ́ (L = 4-(1,2,4-triazol-4-yl)ethanedisulfonate) exhibits a thermally induced spin transition above room temperature with one of the widest hysteresis cycles observed in a spin crossover compound (>85 K). Furthermore, the metastable high-spin (HS) state can be thermally trapped via relatively slow cooling, remaining metas...
The great diversity and richness of transition metal chemistry, such as the features of an open d-shell, opened a way to numerous areas of scientific research and technological applications. Depending on the nature of the metal and its environment, there are often several energetically accessible spin states, and the progress in accurate theoretical treatment of this complicated phenomenon is p...
We report measurements and analyses of resistivity, thermopower and thermal conductivity of polycrystalline samples of perovskite LaRh(1-x)Ni(x)O(3). The thermopower is found to be large at 800 K (185 µV K(-1) for x = 0.3), which is ascribed to the high-temperature stability of the low-spin state of Rh(3+)/Rh(4+) ions. This clearly contrasts with the thermopower of the isostructural oxide LaCoO...
Engineering high-spin state cobalt cations in spinel ZnCo2O4 propagates a spin channel for spin-selected charge transport and enhances active sites intermediate adsorption. High-spin can be directly engineered by varying the calcination temperature.
With decreasing temperature, liquids generally freeze into a solid state, losing entropy in the process. However, exceptions to this trend exist, such as quantum liquids, which may remain unfrozen down to absolute zero owing to strong quantum entanglement effects that stabilize a disordered state with zero entropy. Examples of such liquids include Bose-Einstein condensation of cold atoms, super...
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