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971.
972.
973.
974.
975.
P. E. M. Siegbahn 《Theoretical chemistry accounts》1994,88(6):413-424
Summary The ground state structures and bond energies have been obtained for the triatomic MHX systems where M is the entire sequence of second row transition metal atoms and X is a halide. The most interesting results of this study appear when these systems are compared to the triatomic MH2 and MX2 systems. It turns out that the structure of the MHX systems are quite similar to the corresponding MH2 systems in general. Most of the MHX systems to the right thus have bent low-spin ground states, indicating large covalent contributions to the bonding. RuHX is a special case and has a high-spin linear ground state. For the systems to the left ionicity dominates the bonding. An important result, with implications for halide ligand effects on carbonyl and olefin insertion into M-H and M-R bonds, is that the M-H bonds for the systems to the right have a different character and are significantly weaker for the MHX than for the MH2 systems. A similar effect is noted when the M-Cl bond strengths of MCl2 are compared to the ones in MHCl. Both these effects can be explained by a more cationic metal with mores
0-state character when halide ligands are present. 相似文献
976.
977.
Experiments employing photoreflectance spectroscopy have uncovered band bending due to electrically active defects at the Si(1 1 1)–SiO2 interface after sub-keV Ar+ ion bombardment. The band bending of about 0.5 eV resembles that for Si(1 0 0)–SiO2, and both interfaces exhibit two kinetic regimes for the evolution of band bending upon annealing due to defects healing. The healing takes place about an order of magnitude more quickly at the (1 1 1) interface, however, probably because of less fully saturated bonding and higher compressive stress. 相似文献
978.
V. Katchkanov J.F.W. Mosselmans S. Dalmasso K.P. ODonnell S. Hernandez K. Wang R.W. Martin O. Briot N. Rousseau G. Halambalakis K. Lorenz E. Alves 《Superlattices and Microstructures》2004,36(4-6):729
The local structure of Tm3+ ions incorporated into GaN epilayers was studied by means of Extended X-ray Absorption Fine Structure. The samples were doped either in situ during growth by Molecular Beam Epitaxy or by ion implantation of layers grown by Metal Organic Chemical Vapour Deposition. The implantation was done at ion energy of 300 keV and different nominal fluences of 3×1015, 4×1015 cm−2 and 5×1015 cm−2. The concentration of Tm in the samples studied was measured by Wavelength Dispersive X-ray analysis. For the in situ doped sample with concentration of 0.5%, and for all of the implanted samples, Tm was found on the Ga site in GaN. The ion implanted sample and an in situ doped sample with a similar concentration of Tm showed the same local structure, which suggests that the lattice site occupied by Tm does not depend on the doping method. When the average Tm concentration for in situ doped samples is increased to 1.2% and 2.0%, Tm is found to occupy the Ga substitutional site and the presence of a substantial number of Tm ions in the second coordination sphere indicates dopant clustering in the films. The formation of pure TmN clusters was found in an in situ doped sample with a dopant concentration of 3.4%. 相似文献
979.
H. Sato A. Tani A. J. Fielding S. S. Eaton G. R. Eaton N. E. Whitehead M. Ikeya 《Applied magnetic resonance》2004,26(4):601-616
Nitrate radical NO32− in calcitic evaporate was discovered in Antarctica. The distribution and formation of nitrate radical NO32− in the calcite have been studied by pulse and continuous-wave electron spin resonance. In samples that had been annealed
to destroy the NO32−, regeneration of the radical by γ-rays or UV light indicated that the radical was formed by UV light (with wavelengths less
than 340 nm) from solar rays, not by environmental radiation. The nonuniform spatial distribution of the nitrate radical,
which was deduced from high ratios of local spin density to total spin density, suggests that the nitrate impurity was introduced
into the calcium carbonate after carbonate grain formation. Formation of the carbonate-containing nitrate requires the presence
of high amounts of nitrate and a dry climate. Formation of the nitrate radical requires sample exposure to UV light. These
conditions are satisfied in the environment of Antarctica. 相似文献
980.
Synthetic routes to oxidation of cobalt atoms in cobalt trimethylacetate complexes containing coordinated pyrazole molecules have been considered. 相似文献