Reactions of PtX+ (X = F, Cl, Br, I) with methane have been investigated at the density functional theory (DFT) level. These reactions take place more easily along the low-spin potential energy surface. For HX (X = F, Cl, Br, I) elimination, the formal oxidation state of the metal ion appears to be conserved, and the importance of this reaction channel decreases in going as the sequence: X = F, Cl, Br, I. A reversed trend is observed in the loss of H2 for X = F, Cl, Br, while it is not favorable for PtI+ in the loss of either HI or H2. For HX eliminations, the transfer form of H is from proton to atom, last to hydride, and the mechanisms are from PCET to HAT, last to HT for the sequence of X = F, Cl, Br, I. One reason is mainly due to the electronegativity of halogens. Otherwise, the mechanisms of HX eliminations also can be explained by the analysis of Frontier Molecular Orbitals. While for the loss of H2, the transfer of H is in the form of hydride for all the X ligands. Noncovalent interactions analysis also can be explained the reaction mechanisms.
In IEEE802.15.4 compatible network, TDMA mechanism was used to access the medium and all nodes communicate to each other within one superframe periodically. In order to use the time slot efficiently, graph coloring algorithms are used to schedule the time slots in wireless sensor network. In this paper, the impacts of different assignments on network performance were analyzed and the result was extended to mesh topology network. The proposed data delay model was used to design a PSO algorithm to optimize the assignment schema. Finally, simulation was carried out to verify the practicability of the algorithm and the optimization effect was shown.
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