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841.
A method of orbital trasformations is applied to show the role of transition metal catalysis in nucleophilic additions to carbon:carbon double bonds. 相似文献
842.
Yukihiko Okumura Kouichi Kanayama Masaya Tabaru Satoshi Kawabata 《Proceedings of the Combustion Institute》2007,31(2):1831-1838
The purpose of this research is to elucidate the electrical characteristics of a diamond film synthesized by combustion flame and synthesize a diamond film suitable for application in electronic devices. When the film contains amorphous carbon, the dielectric loss increases, i.e., the electrical characteristics of the diamond film are degraded. We employed three methods to decrease the amorphous carbon in the diamond film—the detection of the optimal equivalence ratio, addition of hydrogen into synthesizing gas, and heat treatment (annealing) of the diamond film. All these methods can decrease the amount of amorphous carbon effectively, thus systematically changing the factors influencing the optimal synthesis for improving the electric characteristics of the film. We have successfully developed a method for preparing a high-quality diamond film with excellent electrical characteristics that has no dielectric loss in the wide frequency range (102–108 Hz). 相似文献
843.
Wha-Nam Myung Sang-Jo Kim Dal-Hwan Jang
H. Okumura
A. Inoue T. Masumoto 《Journal of Non》1992,150(1-3):406-412Measurements of internal friction and dynamic modulus have been carried out on amorphous Fe83−xMnxP17(x=9,12, or 15) alloys in the temperature range 300–800 K, as a function of applied frequency, by a forced oscillation method. The characteristic transition temperatures and activation energies for crystallization were measured by differential scanning calorimetry (DSC). The viscous flow of the sample was measured using a thermomechanical analyzer (TMA) under continuous heating conditions. Internal friction increases rapidly with temperature starting from 450 K for 0.1 Hz, 474 K for 0.5 Hz, 486 K for 1.0 Hz, 511 K for 5 Hz, and 525 K for 10 Hz for the Fe74Mn9P17 specimen. It was found that the internal friction peak temperature was very closely the same as the steady state viscous flow temperature from the TMA curves for Fe74Mn9P17 and Fe68Mn15P17 but not for Fe71Mn12P17. It is assumed that the internal friction peak does not correspond to the glass transition temperature or crystallization temperature for these alloy systems. Two maxima in the free-volume fraction and two minima in the viscosity were also found for the samples which exhibit a ‘mid-contraction’ in their TMA displacement curves. The internal friction peak occurred at the steady state viscous flow temperature. This occurrence means that the origin of the internal friction peak is related to the viscous flow behavior and free-volume fluctuation for this alloy system. 相似文献
844.
Dynamic mechanical properties of an amorphous La55Al25Ni20 alloy were measured by a forced oscillation method in the temperature range from room temperature to 453 K, just below the glass transition temperature (Tg = 481 K). The internal friction at a constant frequency 62.8 rad/s of this alloy showed a peak at about 400 K and the peak position shifts with frequency. Structural relaxation reduces the magnitude of the relaxation peak but has little affect on the peak position. Using the time-temperature superposition process, master curves for storage E′ (ln ω) and loss E″ (ln ω) moduli are constructed. Activation energy of the relaxation obtained from shift factors is low, 100 kJ/mol, which is close to that for diffusion of the Al in Al and Ni in Al. The relaxation spectra are very broad with a half width of 2 3 decades. 相似文献
845.
A simple and practical useful synthetic method of 1,3-benzoselenazoles having a heteroatom substituent such as NRR', OR, and SR groups at the 2-position was developed by the copper(I)-catalyzed reaction of 2-bromophenyl (1) or 2-iodophenyl (2) isocyanides with selenium and heteroatom nucleophiles. In addition, the synthesis of 2-amino-1,3-benzotellurazoles is also described. 相似文献
846.
We demonstrate that the optical transmittance of bilayer samples consisting of pyrolytically coated amorphous Mg-Sn-O and metal oxide films such as In2O3 and SnO2 decreases upon ultraviolet illumination, but can be recovered by annealing in air at ∼300 °C. Spectral, structural, and compositional studies suggest that this photochromic phenomenon is induced by photoelectronic excitation in the Mg-Sn-O film, electron injection into the metal oxide, which becomes negatively charged, and subsequent formation of metallic particles, which absorb and/or scatter visible light. 相似文献
847.
Nobuaki Kitazawa Masami Aono Yoshihisa Watanabe 《Journal of Physics and Chemistry of Solids》2011,72(12):1467-1471
This paper describes the synthesis and characterization of organic–inorganic layered perovskite compounds, (CnH2n+1NH3)2PbI4 (n=4, 5, 7, 8 and 9). The effect of the number of carbon atoms on luminescence properties has been examined. Thin films of microcrystalline (CnH2n+1NH3)2PbI4 fabricated by spin-coating are highly oriented, with the c-axis perpendicular to the substrate surface. Temperature-dependent optical absorption spectra reveal that (CnH2n+1NH3)2PbI4 films (n=4, 7, 8 and 9) show the structural phase transitions. The excitonic structures of (CnH2n+1NH3)2PbI4 vary with the number of carbon atoms of the alkyl chain length. At low temperatures below 100 K, the lowest-energy free-exciton band of (CnH2n+1NH3)2PbI4 (n=7, 8 and 9) split into three fine-structure levels. In contrast to (CnH2n+1NH3)2PbBr4 films, (CnH2n+1NH3)2PbI4 (n=7, 8 and 9) shows no triplet exciton emission, but it shows the Stokes-shifted emission from bound excitons. 相似文献
848.
Hemmi A Usui T Moto A Tobita T Soh N Nakano K Zeng H Uchiyama K Imato T Nakajima H 《Journal of separation science》2011,34(20):2913-2919
A surface plasmon resonance (SPR) sensor on a compact disk (CD)-type microfluidic device was developed to miniaturize the elements of a complete analytical system, pump and valves. The CD-type microfluidic device was fabricated by attaching a polydimethylsiloxane disk plate that contained microchannels and reservoirs to a flat polycarbonate disk plate that contained grating films with a thin layer of Au. The optical system of the SPR sensor and the theory for its operation are based on the principle of a grating coupled-type SPR. The sample and reagent solutions in the reservoirs on the CD-type microfluidic device were sequentially introduced into the detection chamber by centrifugal force generated by the rotation of the microfluidic device. The variation of resonance wavelength was dependent on the refractive index of the sample solution. This CD-type SPR sensor was successfully used in an immunoassay of immunoglobulin A (IgA). The anti-IgA, blocking reagent, sample and washing solution in the reservoirs were sequentially introduced into the detection chamber by changing the frequency of rotation of the microfluidic device. IgA in the sample solution was adsorbed to the anti-IgA immobilized on the Au thin layer in the detection chamber and was then detected by the SPR sensor. 相似文献
849.
Toru Saito Satomichi Nishihara Shusuke Yamanaka Yasutaka Kitagawa Takashi Kawakami Satoru Yamada Hiroshi Isobe Mitsutaka Okumura Kizashi Yamaguchi 《Theoretical chemistry accounts》2011,130(4-6):749-763
First principle calculations of the effective exchange integrals (J) in the Heisenberg model for diradical species are presented for both symmetry-adapted multi-reference (MR) and single-reference broken-symmetry (BS) methods. The Mukherjee-type state-specific MR coupled cluster singles and doubles (MkCCSD) method with several different reference orbitals including BS natural orbitals is used to calculate the singlet?Ctriplet energy gaps (S?CT energy gap or 2J) and diradical characters for the antiaromatic molecules [a cyclopropenyl anion (CPA), b cyclobutadiene (CBD), and c cyclopentadienyl cation (CPC)], the cyclobutadiene derivatives with polar substitutents [d aminocyclobutadiene (ACBD), e formylcyclobutadiene (FCBD), and f 1-amino-2-formyl-cyclobutadiene (AFCBD)] and finally the cyclobutadine derivatives with radical substitutents [g 1,2-bis(methylene)cyclobutadiene (1,2-BMCBD) and h 1,3-bis(methylene)cyclobutadiene (1,3-BMCBD)]. For the BS methods, the spin-unrestricted Hartree?CFock based CCSD (UHF-CCSD), the CCD with the spin-unrestricted Brueckner determinant (UBD), and BS density functional theory (UDFT) computations are performed. Comparison between MkCCSD and the UHF-CCSD results indicates that spin-contamination of UHF-CCSD solutions still remains. In comparison with UHF-CCSD, the UBD results show that spin-contamination involved in BS solutions is greatly suppressed. To eliminate the spin contamination, an approximate spin-projection (AP) scheme is applied to the BS solutions. The AP procedure with the use of the expectation value of the total-spin operator corresponding to UHF-CCSD and UBD results yields good agreement with the MkCCSD results. As for the AP correction of the UDFT methods, three different computational schemes for predicting the expectation value of the total-spin operator are examined. Systematic comparisons between these methods are presented for the S?CT energy gaps (2J). Implications of the present computational results have been discussed in relation to the design of magnetic oligomers and polymers. 相似文献
850.
Toru Saito Satomichi Nishihara Shusuke Yamanaka Yasutaka Kitagawa Takashi Kawakami Satoru Yamada Hiroshi Isobe Mitsutaka Okumura Kizashi Yamaguchi 《Theoretical chemistry accounts》2011,130(4-6):739-748
We have investigated the through-bond exchange interactions in three non-Kekulé hydrocarbon diradicals on the basis of single- and multireference coupled cluster and related broken-symmetry (BS) methods. The singlet?Ctriplet energy gap (S-T gap) and diradical characters for these species are evaluated. It is found that the spin contamination involved in the BS solutions is non-negligible and the approximate spin-projection method greatly improves the usual BS solutions. As for Mukherjee??s state-specific multireference coupled cluster (MkMRCC) computations, the size-consistent correction with the UHF localized natural orbitals (ULO) is useful to obtain the qualitatively correct 2J values. 相似文献