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31.
Toshiaki Munakata Tomohiko Hirooka Kozo Kuchitsu 《Journal of Electron Spectroscopy and Related Phenomena》1978,13(3):219-228
Energy distributions of electrons ejected from polycrystalline surfaces of naphthacene, perylene and coronene by the impact of metastable He *, Ne * and Ar * atoms have been measured. Two types of peaks, which are similar to the “non-moving” and “moving” structures in photoelectron spectra, are observed in each spectrum. The non-moving structures (ca. 1 eV) for perylene and coronene are similar to those in the photoelectron spectra, whereas the relative intensities of the two non-moving structures for naphthacene (0.6 and 1.7 eV) are remarkably different from the corresponding structures in the photoelectron spectrum. The peak positions (but not necessarily their intensities and widths) for the moving structures for all the samples (> 2 eV) agree with those of the corresponding photoelectron spectra. The origin of these moving structures is ascribed to Penning ionization on the solid surface. 相似文献
32.
Yasuo Munakata 《Communications in Mathematical Physics》1968,9(1):18-37
A generalization of the spherical harmonic addition theorem is proved. The resulting polynomial with four parameters, which corresponds to the Legendre polynomial for the usual spherical harmonic addition theorem, is expressed as four different but equivalent series. Each of them is a finite series of the Gegenbauer polynomials. Thereby the symmetry properties of this polynomial are clarified. 相似文献
33.
Bian GQ Dai J Zhu QY Yang W Yan ZM Munakata M Maekawa M 《Chemical communications (Cambridge, England)》2002,(14):1474-1475
Novel binuclear dithiolate complexes (Me4N)2[M2-(SPh)2(S2TTF(SMe)2)2] (M = Cd and Zn) have been synthesized by a new cluster-cracking method. 相似文献
34.
Toyonori Munakata 《Journal of Molecular Liquids》2001,90(1-3):205-214
The density functional theory(DFT) of nonuniform liquids plays an important role in classical many-body theory because of its (mathematical)simplicity and (physical)clarity. Some extensions and applications of DFT, including a new proposal for an m-body hypernetted-chain(HNC) equation for the static structure of liquids are presented. 相似文献
35.
When a problem can be characterized by different parameter sets, constraints imposed on one parameter set must be consistent with, or isomorphic to, constraints imposed on other parameter sets. When mapping among the parameter sets is not so visibly obvious, one might overlook consistency violations, which have occurred in the past. This paper examines such violations and possible correction algorithms. (© 2008 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim) 相似文献
36.
R. Yamamoto I. Yamamoto M. Mikamori T. Yamada K. Miyakubo T. Munakata 《Surface science》2011,605(9-10):982-986
Micro-spot two-photon photoemission (micro-2PPE) spectroscopy is used to probe unoccupied electronic levels at sub-monolayer (ML) films of lead phthalocyanine (PbPc) on graphite (HOPG). The high-energy resolution (30 meV) 2PPE spectra with high-lateral resolution (0.4 μm) show well-resolved features due to molecule-derived occupied/unoccupied levels and the image potential state (IPS). The surface images based on photoemission from the highest occupied molecular orbital (HOMO) become laterally uniform after an annealing procedure. By contrast, the images based on the peak due to the lowest unoccupied molecular orbital (LUMO) and the next LUMO (LUMO + 1) are laterally inhomogeneous even after the annealing. The IPS peak is broadened to higher energy by 0.3 eV for sub-ML films and becomes sharp when a 1 ML film is formed. The broadening indicates that the electron in the IPS is scattered by molecules within the mean free path in the range from 1 to 10 nm. PbPc molecules are randomly distributed including nm-clusters. The LUMO and LUMO + 1 levels are stabilized as the cluster size increases. The inhomogeneity of the surface image due to the LUMO + 1 peak arises from the size distribution of the nm-clusters. The present results demonstrate that the unoccupied levels are more sensitive to the environment than the occupied levels. 相似文献
37.
38.
The binding of amino acids to water-soluble zinc porphyrins in basic aqueous solution was spectrophotometrically analyzed. The amino acids were bound to the porphyrins through the coordination of the N atom with the central zinc ion. Additional attractions arise due to Coulomb interactions between the -COO(-) anion of the amino acids and the -N(CH(3))(3)(+) cation of the porphyrin substituents and due to hydrophobic interactions between the porphyrin plane and the hydrophobic substituents of the amino acids. These attractions could be explained based on the binding data. The compensatory relationships of DeltaS and DeltaH were also discussed. 相似文献
39.
Ming Wen Megumu Munakata Yi-Zhi Li Yusaku Suenaga Takayoshi Kuroda-Sowa Masahiko Maekawa Manabu Anahata 《Polyhedron》2007
For the purpose of investigating the coordination behavior of sterically congested alkenes and exploring the possibility of non-planar complexation in the polycyclic aromatic system for formation of extended polymeric networks, triptycene (tpty) has been studied with regard to its complexation with the silver(I) ion. The crystal structures of [Ag(tpty)(THF)2](ClO4) (1) and [Ag6(tpty)4(CF3SO3)2(H2O)6](CF3SO3)4 (2) have been determined by single-crystal X-ray diffraction. The polycyclic aromatic hydrocarbon triptycene is found to offer a potential site for complexation, which can be utilized to generate an interesting array of organo-metallic polymers with one-dimensional (1D) chain and three-dimensional (3D) porous frameworks. 相似文献
40.
Nakayama M Kotobuki M Munakata H Nogami M Kanamura K 《Physical chemistry chemical physics : PCCP》2012,14(28):10008-10014
The research and development of rechargeable all-ceramic lithium batteries are vital to realize their considerable advantages over existing commercial lithium ion batteries in terms of size, energy density, and safety. A key part of such effort is the development of solid-state electrolyte materials with high Li(+) conductivity and good electrochemical stability; lithium-containing oxides with a garnet-type structure are known to satisfy the requirements to achieve both features. Using first-principles density functional theory (DFT), we investigated the electrochemical stability of garnet-type Li(x)La(3)M(2)O(12) (M = Ti, Zr, Nb, Ta, Sb, Bi; x = 5 or 7) materials against Li metal. We found that the electrochemical stability of such materials depends on their composition and structure. The electrochemical stability against Li metal was improved when a cation M was chosen with a low effective nuclear charge, that is, with a high screening constant for an unoccupied orbital. In fact, both our computational and experimental results show that Li(7)La(3)Zr(2)O(12) and Li(5)La(3)Ta(2)O(12) are inert to Li metal. In addition, the linkage of MO(6) octahedra in the crystal structure affects the electrochemical stability. For example, perovskite-type La(1/3)TaO(3) was found, both experimentally and computationally, to react with Li metal owing to the corner-sharing MO(6) octahedral network of La(1/3)TaO(3), even though it has the same constituent elements as garnet-type Li(5)La(3)Ta(2)O(12) (which is inert to Li metal and features isolated TaO(6) octahedra). 相似文献