| 1. |
- He, C. J., et al.
(författare)
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Advance in chemical mimic of Fe-only hydrogenase
- 2004
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Ingår i: Huaxue jinzhan. - 1005-281X. ; 16:2, s. 250-255
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Tidskriftsartikel (refereegranskat)abstract
- Hydrogenases are one of the important enzymes in many microorganisms, which can catalyze the reversible oxidation of hydrogen. They are classified into three categories according to their active metal centers, that is, Fe-only, [Ni-Fe] and metal free H-2 ases. This review introduces primarily the recent advances in structural investigation and chemical mimic of Fe-only H-2 ases.
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| 2. |
- Guo, X. W., et al.
(författare)
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Methylation of 4-methylbiphenyl with methanol over metal oxide-modified HZSM-5 zeolite catalysts
- 2003
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Ingår i: Cuihuà xuébào. - 0253-9837 .- 1872-2067. ; 24:5, s. 333-337
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Tidskriftsartikel (refereegranskat)abstract
- A series of HZSM-5 zeolite catalysts modifed with metal oxides (MgO, CaO, SrO, BaO, ZnO, La2O3 and CeO2) were prepared by impregnation method and characterized by XRD, TPD and N-2-adsorption. Methylation of 4-methylbiphenyl (4-MBP) with methanol to 4,4'-dimethylbiphenyl (4,4'-DMBP) was carried out over the prepared catalysts under fixed-bed down-flow conditions. The results showed that the MgO-modified HZSM-5 can significantly improve the selectivity for target product 4,4'-DMBP (up to 80 % vs only 13 % over the parent HZSM-5). The effects of metal oxides on 4,4'-DMBP selectivity are arranged in the following order: MgO>SrOapproximate toZnOapproximate toCaOapproximate toLa(2)O(3)>BaO>CeO2. The effects of MgO contents, precursor-salt types, and loading methods were further investigated, and the results revealed that during 4-MBP conversion, proper MgO loading (5.6 %) can be more effective, and the ion-exchange methed is much better than the impregnation method. However, it is difficult to get higher metal oxide loading by using the ion-exchange method. The high selectivity over HZSM-5 modified with MgO largely results from the depression of 4,4-DMBP second reactions such as isomerization, dealkylation and alkylation, as demonstrated by the reaction of 4,4'-DMBP as reactant over MgO/ZSM-5 catalyst and HZSM-5 zeolite.
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| 3. |
- He, Sailing, et al.
(författare)
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Synchrotron radiation photoemission study of Yb2.75C60
- 2005
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Ingår i: Wuli xuebao. - : Acta Physica Sinica, Chinese Physical Society and Institute of Physics, Chinese Academy of Sciences. - 1000-3290. ; 54:3, s. 1400-1405
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Tidskriftsartikel (refereegranskat)abstract
- The Yb275C60 thin film was prepared and studied by using the synchrotron radiation ultraviolet photoemission spectroscopy(PES) in an ultrahighvacuum system. The spectral line obtained in the range between the Fermi level and ～5 eV binding energy consists of those lines from the valence band (the molecular orbital LUMO, HOMO and HOMO1 derived energy bands of C60) and core levels(Yb 4f7/2 and 4f5/2). Taking into account the variations of the photoinization cross sections of C 2p and Yb 4f with different photon energies, we have measured the photoemission spectra under the condition of varying photon energies, and carried out simulations to deduce the component contributions. The peak positions, widths and intensities for the components are obtained quantitatively. The results reveals that the photoemission of 4f electrons has a significant intensity with the photon energies larger than ～300 eV, and that the measured spectra depart drastically from the density of states of the valence band. To observe the valence band structure, one should carry out the PES measurements by using photons with energies less than 300 eV. The photoionization crosssection oscillation is also observed in Yb275C60 with almost the same oscillation period as that for pure C60 However, the oscillation amplitude is obviously smaller than that for pure C60, which reveals that the chemical environment of C60 in compounds has nonnegligible effects on the photoionization crosssection oscillation phenomenon.
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| 4. |
- Li, Z. L., et al.
(författare)
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Effect of the electronic dimensionality of electrodes on the current-voltage characteristics of single molecular devices
- 2004
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Ingår i: Wuli xuebao. - : Acta Physica Sinica, Chinese Physical Society and Institute of Physics, Chinese Academy of Sciences. - 1000-3290. ; 53:5, s. 1490-1495
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Tidskriftsartikel (refereegranskat)abstract
- The electrodes can be constructed by different dimensionality of electronic systems in energy representation when the current through the molecular junction is measured. Basing on the elastic scattering Green function theory, we have developed the theoretical methods for studying the electronic transport properties of molecular junctions and paid attention to the influence of the dimensionality of electrodes. The alpha, alpha'-xylyl dithiol molecule is taken as an example and its current-voltage characteristics have been investigated for electrodes with different-dimension electronic systems. The numerical results show that dimensionality of metal contacts has strong effect on the current-voltage characteristics of molecular junction, in particular the shape of the conductance curves.
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| 5. |
- Ma, Y., et al.
(författare)
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Theoretical studies on electronic transport properties of six-membered heterocyclic molecules
- 2006
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Ingår i: Wuli xuebao. - : Acta Physica Sinica, Chinese Physical Society and Institute of Physics, Chinese Academy of Sciences. - 1000-3290. ; 55:4, s. 1974-1978
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Tidskriftsartikel (refereegranskat)abstract
- By applying the elastic scattering Green's function theory in combination with the hybrid density function theory, the electronic transport properties of molecular junctions constructed by the six-membered heterocyclic molecules, pyridazine-2, 5-dithiol, pyrazine-2, 5-dithiol, and pyrimidine-2, 5-dithiol, have been studied. For the heterocyclic molecule pyridine, the influence of the terminal atoms on the current-voltage characteristics has also been obtained. We have accurately determined the coupling constant between the molecule and electrodes by using the frontier molecular orbital theory and the perturbation method. The numerical results show that pyridazine-2,5-dithiol has higher current and conductance, while the conductance of pyrimidine-2, 5-dithiol is very small when the bias voltage is lower than 4V. The conductivity of the molecule pyridine with selenium atom as the terminal atom is higher than that with oxygen atom or sulfur atom.
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| 6. |
- Shi, F., et al.
(författare)
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Synthesis and properties of a new donor model compound for PSII
- 2004
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Ingår i: Gaodeng xuéxiào huàxué xuébào. - 0251-0790. ; 25:9, s. 1666-1672
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Tidskriftsartikel (refereegranskat)abstract
- As a model compound for redox components on the donor side of photosystem II (PS II) in green plants, a supramolecular complex 2 was synthesized and characterized. In this complex, two {[(2-hydroxy-3-(morpholin-4-ylmethyl)-5-tert-butyl-benzyl)(pyridyl-2-methyl)amino]methyl} arms are linked to the ortho-positions of a phenol which is expected covalently to be linked to Ru(II) tris-bipyridine through an amide bond. The arms on the substituted-phenol can coordinate two Mn(III) ions. The structure of complex 2 was confirmed by electrospray ionization mass spectrometry (ESI-MS) and 2D-NMR (gCOSY, HSQC and HMBC). Its photochemical and electrochemical properties were studied. The results showed that the MLCT band of the compound was red-shifted compared to that of [Ru(byp)(3)](2+) and the luminescence quantum yield was enhanced. In addition, the oxidation potential of ruthenium was higher than the phenol(+)/phenol and Mn(III, IV)/Mn(III) which was consisted with the electron transfer sequence of the donor side of PS II in nature. All these showed that this compound was a good model to mimic the donor side of PS II.
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| 7. |
- Zhao, K., et al.
(författare)
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Studies on two-photon absorption cross-sections of 1,4-dimethoxy-2,5-divinyl-benzene derivatives
- 2005
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Ingår i: Wuli xuebao. - : Acta Physica Sinica, Chinese Physical Society and Institute of Physics, Chinese Academy of Sciences. - 1000-3290. ; 54:6, s. 2662-2668
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Tidskriftsartikel (refereegranskat)abstract
- The one-photon and two-photon absorption properties of a series of 1, 4-dimethoxy-2, 5-divinyl-benzene derivatives are investigated by use of the analytic response theory at HF level. The one-photon and two-photon fluorescence spectra of E, E-2-5Bis[4'-(N, N-di-n-butylamino) styryl]-1 4-dimenthoxybenzene are measured. The numerical results show that these molecules have strong two-photon absorption cross sections. In the visible light region, the maximal one-photon absorption strengths of the molecules occur in the first excited state. Furthermore, the maximal two-photon absorption cross sections of the D-pi-A typed molecules still appear in the first state, but for D-pi-D typed molecules the second excited state has the maximal two-photon absorption cross-section. The optical properties of the molecules are closely related to the electric property of the donor and acceptor. The symmetrically substituted molecules can not be determined to have a larger two-photon absorption cross section than the asymmetrically substituted molecules for such a kind of pi-center. The charge-transfer process for the charge-transfer states is displayed, and then the mechanism of photopolymerization is discussed qualitatively.
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