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1.
Motoko S. Asano Sho Hashimoto Takuya Shinozuka Yasutaka Fushimi 《Molecular physics》2019,117(19):2664-2672
ABSTRACTInteraction between a zinc porphyrin (ZnPor) as the end-group and poly(9,9-di-n-octylfluorene-2,7-vinylene) (PFV) as the main chain in a porphyrin end-modified fluorescent conjugated polymer, ZnPFV, was studied by time-resolved electron paramagnetic resonance (EPR) and fluorescence spectroscopy. While fluorescence from the PFV part of ZnPFV showed a spectral profile almost identical to that of a PFV oligomer without end-modification, the emission spectrum of the ZnPor part exhibited a much broader profile compared to that of the reference zinc porphyrin monomer. Based on the analysis of lifetimes and quantum yields, it was found that radiative rate constant of the ZnPor part was enhanced by nearly three times. The observed unusual enhancement in the radiative rate constant was rationalised in terms of a partial π-conjugation between the end group and the main chain, as a result of co-planarisation in fluid solution. On the other hand, the time-resolved EPR spectrum of ZnPFV at 100?K basically showed a similar spectral pattern to that of the reference zinc porphyrin, but with significant differences in zero-field spitting parameters and initial population ratios. The π-system of the excited triplet state is deduced to deviate from D4h symmetry in the end zinc porphyrin groups. The obtained results show that interaction of the porphyrin end group with the main chain of the polymer significantly influences the excited singlet state properties of the porphyrin, while its triplet state properties were affected to a lesser extent. 相似文献
2.
Ihara T Fujii T Mukae M Kitamura Y Jyo A 《Journal of the American Chemical Society》2004,126(29):8880-8881
Anthracene readily forms photoadducts, anthracene dimers, and this photodimerization reaction has been well characterized. In general, however, the reaction requires close proximity and certain spatial alignment of both reaction partners. DNA could provide an ideal scaffold for accelerating the photocyclic addition. We synthesized a number of anthracene-DNA conjugates. The sequences of the conjugates, 5'AntODNn and 3'AntODNn (the length of methylene linkers: n = 3 or 6), were designed to bind adjacent sequences of the template with the anthracene units directed such that they stacked with each other. The conjugates were only dimerized in the presence of the template by light irradiation. The efficiency was affected by one-base displacement in the template sequence. 相似文献
3.
The techniques of chemical ligation have attracted great attention as an alternative to enzymatic joining of DNA ends. Here we introduce the photoligation of anthracene-modified ODN conjugates through anthracene cyclodimer formation. The effect of the positions and the kinds of single base mismatch on the template was evaluated using eight templates with one-base displacements. We found out that the yield of the ligation was affected by mispairing in a position-dependent manner. Such results would be attributed to the disruption of the local structure at the ligation site. 相似文献
4.
Zerong Daniel Wang Meagan Hysmith Motoko Yoshida Ben George Perla Cristina Quintana 《International journal of quantum chemistry》2014,114(6):429-435
A benchmark comparison for different computational methods and basis sets has been presented. In this study, five computational methods (Hartree–Fock (HF), MP2, B3LYP, MPW1MP91, and PBE1PBE) along with 18 basis sets have been applied to optimize the geometry of carbon disulfide (CS2), and further calculate the vibrational frequencies of the optimized geometries. The differences between the calculated frequencies and corresponding experimental data are used to evaluate the efficiency of each combination of computational method and basis set. The comparison of frequency difference indicates that B3LYP generally gives the best prediction of frequencies for CS2, whereas the other two density functional theory (DFT) methods, i.e., MPW1PW91 and PBE1PBE, often give parallel results. Although MP2 predicts the frequencies with accuracy almost as good as those from DFT methods, in a particular case, HF calculation outperforms MP2 as well as MPW1PW91 and PBE1PBE for prediction of the frequency of asymmetrical stretching for CS2. © 2013 Wiley Periodicals, Inc. 相似文献
5.
Motoko Qiu Kawakita 《Journal of Pure and Applied Algebra》2005,196(1):101-110
The curve in the title is a non-maximal curve of genus 11, which has a defining equation analogous to the Klein quartic's. We study its properties and show how to apply it to coding theory. 相似文献
6.
Kinoshita T Haga Y Narimatsu S Shimada M Goda Y 《Chemical & pharmaceutical bulletin》2005,53(6):717-720
New cassane diterpene-acids, neocaesalpins H and I, were isolated from the leaves of Caesalpinia crista (Fabaceae), and their structures were deduced on the basis of the spectroscopic and chemical basis. These compounds were characterized as having an alpha,beta-butenolide hemiacetal ring that is rare in nature. The lacking of 5-hydroxy group also distinguished neocaesalpins H and I from cassane diterpenes (caesalpins) occurring in other Caesalpinia species from the phytochemical viewpoint. The nomenclature of three Caesalpinia species was also reviewed, and it was found that some species belonging to the genus Caesalpinia are improperly named and should be changed to valid names. 相似文献
7.
Koichi Kajihara Taisuke Miura Hayato Kamioka Akira Aiba Motoko Uramoto Yukihiro Morimoto Masahiro Hirano Linards Skuja Hideo Hosono 《Journal of Non》2008,354(2-9):224-232
This article briefly summarizes the diffusion and reactions of interstitial oxygen species in amorphous SiO2 (a-SiO2). The most common form of interstitial oxygen species is oxygen molecule (O2), which is sensitively detectable via its characteristic infrared photoluminescence (PL) at 1272 nm. The PL observation of interstitial O2 provides key data to verify various processes related to interstitial oxygen species: the dominant role of interstitial O2 in long-range oxygen transport in a-SiO2; formation of the Frenkel defect pair (Si–Si bond and interstitial oxygen atom, O0) by dense electronic excitation; efficient photolysis of interstitial O2 into O0 with F2 laser light (λ = 157 nm, hν = 7.9 eV); and creation of interstitial ozone molecule via reaction of interstitial O2 with photogenerated O0. The efficient formation of interstitial O0 by F2 laser photolysis makes it possible to investigate the mobility, optical absorption, and chemical reactions of interstitial O0. The observed properties of O0 are consistent with the model that O0 takes the configuration of Si–O–O–Si bond. Interstitial O2 and O0 react with dangling bonds, oxygen vacancies, and chloride groups in a-SiO2. Reactions of interstitial O2 and O0 with mobile interstitial hydrogen species produce interstitial water molecules and hydroperoxy radicals. Interstitial hydroxyl radicals are formed by F2 laser photolysis of interstitial water molecules. 相似文献
8.
Kumagai H Akita-Tanaka M Inoue K Takahashi K Kobayashi H Vilminot S Kurmoo M 《Inorganic chemistry》2007,46(15):5949-5956
Single crystals of three coordination networks containing the Cu(2)(COO)(4) core bridged by cyclohexane have been hydrothermally prepared by the reaction of 1,4-cyclohexanedicarboxylic (1,4-H(2)chdc) or 1,3,5-cyclohexanetricarboxylic (1,3,5-H(3)chtc) acid and Cu(NO(3))(2) x 6H(2)O. We report their characterizations by single-crystal X-ray structure determinations, IR spectroscopy, thermal analyses, and their magnetic properties. [Cu(2)(trans-1,4-chdc)(2)] (1) consists of 4 x 4 grids with the dimeric nodes connected by the trans-1,4-chdc, and these grids are then connected to each other by Cu-O bonds, resulting in a porous network (void volume of 130 Angstrom(3) per cell or 25%) with no solvent in its cavities. [Cu(2)(cis-1,4-chdc)(2)(H(2)O)(2)] (2) consists of two-legged ladders where the dimer nodes are bridged by pairs of cis-1,4-chdc and the water molecules cap the ends of the Cu dimers. [Cu(2)(1,3,5-Hchtc)(2)] (3) displays 4 x 4 grids, but each dimeric node is connected to its neighbors within the same grid by Cu-O bonds to form a layered network which further makes hydrogen-bond interactions with its neighbors. 2 and 3 have compact structures without any space for solvents. IR and DT-TGA confirm the absence of water in the empty channels of 1, while IR shows the presence of both protonated and deprotonated carboxyl groups for 3. The magnetic properties of all three compounds are dominated by the strong Cu-Cu antiferromagnetic interaction resulting in singlet-triplet gaps of 450-500 K. 相似文献
9.
We discuss a large deviation property of a periodic random walk on a crystal lattice in view of geometry, and relate it to a rational convex polyhedron in the first homology group of a finite graph, which, as we shall observe, has remarkable combinatorial features, and shows up also in the Gromov-Hausdorff limit of a crystal lattice.To the memory of our late friend Robert Brooks 相似文献
10.
Dr. Junichi Nishijo Takaaki Akashi Dr. Masaya Enomoto Prof. Motoko Akita 《ChemistryOpen》2019,8(7):873-878
A facile method to prepare one-dimensional (1D) organometallic nanomaterials from various ethynyl-substituted molecules is reported. The reactions of 3-chloro-1-ethynylbenzene, p-tBu-phenylacetylene and 4-ethynylbiphenyl with Cu+ ions in acetonitrile yield nanorod-shaped copper acetylides (Cu−C≡C−R) crystals. In the case of linear alkynes, namely, propyne, 1-pentyne and 1-hexyne, it was found that using an aqueous ammonia/ethanol mixed solvent instead of acetonitrile is a better approach to obtain 1D nanostructures. This procedure also enables us to prepare functional 1D nanomaterials. We demonstrate the preparation of a paramagnetic nanorod from the organic radical p-ethynylphenyl nitronyl nitroxide, and fluorescent nanorods from 9-ethynylphenanthrene and 2-ethynyl-9,9′-spirobifluorene. 相似文献