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71.
《Journal of Chemical Sciences》2005,117(5):525-531
The silicon atom may increase its coordination number to values greater than four, to form pentacoordinated compounds. It
has been observed experimentally that, in general, pentacoordinated compounds show greater reactivity than tetracoordinated
compounds. In this work, density functional theory is used to calculate the global softness and the condensed softness of
the silicon atom for SiH
n
F4−n
and SiH
n
F
5−n
1−
. The values obtained show that the global and condensed softness are greater in the pentacoordinated compounds than in the
tetracoordinated compounds, a result that explains the enhanced reactivity. If the results are analysed through a local version
of the hard and soft acids and bases principle, it is possible to suggest that in nucleophilic substitution reactions, soft
nucleophiles preferably react with SiH
n
F
5−n
1−
, and hard nucleophiles with SiH
n
F4−n
. 相似文献
72.
Quantitative H–Al distances in acid sites of two zeolites with MFI and IFR framework topology were obtained by numerical simulation of 1H{27Al} rotational echo adiabatic passage double resonance (REAPDOR) experiments. A 27Al offset-dependent data set yields for each resolved 1H NMR line a corresponding nuclear electric quadrupole coupling constant of the neighboring 27Al site. This information is used for analyzing a second data set for on-resonance irradiation, where the dipolar evolution time (number of rotor cycles) was varied, to yield the 1H–27Al dipolar coupling constant. Numerical simulations indicate that the REAPDOR method does not depend significantly on the polar angles, defining the orientation of the electric field gradient tensor of 27Al with respect to the Al–H dipolar vector. In contrast, the transfer of populations in double resonance sequence is sensitive to these angles, and it can be thus used to measure them. 相似文献
73.
T. Nakamura 《The European Physical Journal A - Hadrons and Nuclei》2002,13(1-2):33-37
We present the recent experimental results on the 6He structure studied by the 6Li(t, 3He)6He reaction at 336 MeV. Above the conspicuous peaks for ground and first excited states for 6He, we have observed a broad structures at E
x∼ 5 MeV, and E
x∼ 15 MeV. The angular distribution of this structure exhibits the dominance of a ΔL = 1 transition, indicating the existence of intruder dipole states at low excitation energies in 6He. A slight admixture of positive-parity states in this structure has been indicated as well.
Received: 1 May 2001 / Accepted: 4 December 2001 相似文献
74.
用过氧聚钨酸(PPTA)水溶液,通过离心涂膜法在显微镜载玻片上制备了具有光滑表面且厚度为100nm的PPTA薄膜,利用PPTA薄膜在紫外光照下可研制光栅以及其它光学元件的薄膜材料,具有很高的利用价值。 相似文献
75.
76.
77.
Correlations of active galactic nuclei (AGNs) with microquasars are discussed based on the coexistence of the Blandford-Znajek (BZ) and magnetic coupling (MC) processes (CEBZMC) in black hole (BH) accretion disk.The proportions of several quantities of BH systems for both AGNs and microquasars are derived by combining the observational data with CEBZMC. It is shown that the square of the magnetic field at the BH horizon is inversely proportional to the BH mass, while the accretion rate of the disk is proportional to the BH mass. In addition, the very steep emissivity indexes from the recent XMM-Newton observations of the nearby bright Seyfert 1 galaxy MCG-6-30-15 and the microquasars XTE J1650-500 are well fitted by considering the MC effects on the disk radiation. These results suggest strongly the correlations of A GNs with microquasars. 相似文献
78.
Methods to synthesize magnetic Fe3O4 nanoparticles and to modify the surface of particles are presented in the present investigation. Fe3O4 magnetic nanoparticles were prepared by the co-precipitation of Fe3+ and Fe2+, NH3·H2O was used as the precipitating agent to adjust the pH value, and the aging of Fe3O4 magnetic nanoparticles was accelerated by microwave (MW) irradiation. The obtained Fe3O4 magnetic nanoparticles were characterized by Fourier transform infrared spectroscopy (FT-IR), transmission electron microscopy (TEM), X-ray powder diffraction (XRD) and vibrating sample magnetometer (VSM). The average size of Fe3O4 crystallites was found to be around 8–9 nm. Thereafter, the surface of Fe3O4 magnetic nanoparticles was modified by stearic acid. The resultant sample was characterized by FT-IR, scanning electron microscopy (SEM), XRD, lipophilic degree (LD) and sedimentation test. The FT-IR results indicated that a covalent bond was formed by chemical reaction between the hydroxyl groups on the surface of Fe3O4 nanoparticles and carboxyl groups of stearic acid, which changed the polarity of Fe3O4 nanoparticles. The dispersion of Fe3O4 in organic solvent was greatly improved. Effects of reaction time, reaction temperature and concentration of stearic acid on particle surface modification were investigated. In addition, Fe3O4/polystyrene (PS) nanocomposite was synthesized by adding surface modified Fe3O4 magnetic nanoparticles into styrene monomer, followed by the radical polymerization. The obtained nanocomposite was tested by thermogravimetry (TG), differential scanning calorimetry (DSC) and XRD. Results revealed that the thermal stability of PS was not significantly changed after adding Fe3O4 nanoparticles. The Fe3O4 magnetic fluid was characterized using UV–vis spectrophotometer, Gouy magnetic balance and laser particle-size analyzer. The testing results showed that the magnetic fluid had excellent stability, and had susceptibility of 4.46×10−8 and saturated magnetization of 6.56 emu/g. In addition, the mean size d (0.99) of magnetic Fe3O4 nanoparticles in the fluid was 36.19 nm. 相似文献
79.