Search Results - "Nakao, Yoshihide"

Bidirectional Chemo-Switching of Spin State in a Microporous Framework by Ohba, Masaaki, Yoneda, Ko, Agustí, Gloria, Muñoz, M. Carmen, Gaspar, Ana B, Real, José A, Yamasaki, Mikio, Ando, Hideo, Nakao, Yoshihide, Sakaki, Shigeyoshi, Kitagawa, Susumu

“…The ins and outs of spin: Using the microporous coordination polymer {Fe(pz)[Pt(CN)₄]} (1, pz=pyrazine), incorporating spin-crossover subunits, two-directional…”
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Photo absorption of ‐coumaric acid in aqueous solution: RISM‐SCF‐SEDD theory approach by Hirano, Kenji, Nakano, Hiroshi, Nakao, Yoshihide, Sato, Hirofumi, Sakaki, Shigeyoshi

“…Photo absorption properties of p ‐coumaric acid, the chromophore of photoactive yellow protein, in aqueous solution were investigated by means of reference…”
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Theoretical Study of Pyrazolate-Bridged Dinuclear Platinum(II) Complexes: Interesting Potential Energy Curve of the Lowest Energy Triplet Excited State and Phosphorescence Spectra by Saito, Ken, Nakao, Yoshihide, Sakaki, Shigeyoshi

“…Four kinds of 3,5-dialkylpyrazolate(R2pz)-bridged dinuclear platinum(II) complexes [Pt2(µ-R2pz)2(dfppy)2] (dfppy = 2-(2,4-difluorophenyl)pyridine; R2pz =…”
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Why Does Fluoride Anion Accelerate Transmetalation between Vinylsilane and Palladium(II)−Vinyl Complex? Theoretical Study by Sugiyama, Akihiro, Ohnishi, Yu-ya, Nakaoka, Mayu, Nakao, Yoshihide, Sato, Hirofumi, Sakaki, Shigeyoshi, Nakao, Yoshiaki, Hiyama, Tamejiro

“…Transmetalation between palladium(II)−vinyl complex and vinylsilane was theoretically investigated with the DFT and MP2 to MP4 methods to clarify the reaction…”
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Ruthenium(II)-Catalyzed Hydrogenation of Carbon Dioxide to Formic Acid. Theoretical Study of Real Catalyst, Ligand Effects, and Solvation Effects by Ohnishi, Yu-ya, Matsunaga, Tadashi, Nakao, Yoshihide, Sato, Hirofumi, Sakaki, Shigeyoshi

“…Ruthenium-catalyzed hydrogenation of carbon dioxide to formic acid was theoretically investigated with DFT and MP4(SDQ) methods, where a real catalyst,…”
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Electronic Structure of Four-Coordinate Iron(I) Complex Supported by a Bis(phosphaethenyl)pyridine Ligand by Nakajima, Yumiko, Nakao, Yoshihide, Sakaki, Shigeyoshi, Tamada, Yoshinori, Ono, Teruo, Ozawa, Fumiyuki

“…A 15-electron iron complex with a formal Fe(I) center, [FeBr(BPEP)] (BPEP = 2,6-bis(1-phenyl-2-phosphaethenyl)pyridine), was prepared by one-electron reduction…”
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Discrete Sandwich Compounds of Monolayer Palladium Sheets by Murahashi, Tetsuro, Fujimoto, Mayu, Oka, Masa-aki, Hashimoto, Yasuhiro, Uemura, Tomohito, Tatsumi, Yasuki, Nakao, Yoshihide, Ikeda, Atsushi, Sakaki, Shigeyoshi, Kurosawa, Hideo

“…Despite the abundance of "sandwich" complexes, in which two cyclic aromatic hydrocarbon ligands flank a metal center, this motif has not been extended to…”
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Heterolytic Activation of Dihydrogen Molecule by Hydroxo-/Sulfido-Bridged Ruthenium–Germanium Dinuclear Complex. Theoretical Insights by Ochi, Noriaki, Matsumoto, Tsuyoshi, Dei, Takeya, Nakao, Yoshihide, Sato, Hirofumi, Tatsumi, Kazuyuki, Sakaki, Shigeyoshi

“…Heterolytic activation of dihydrogen molecule (H2) by hydroxo-/sulfido-bridged ruthenium–germanium dinuclear complex [Dmp(Dep)Ge(μ-S)(μ-OH)Ru(PPh3)]+ (1) (Dmp…”
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Effects of Carbon–Metal–Carbon Linkages on the Optical, Photophysical, and Electrochemical Properties of Phosphametallacycle-Linked Coplanar Porphyrin Dimers by Matano, Yoshihiro, Matsumoto, Kazuaki, Hayashi, Hironobu, Nakao, Yoshihide, Kumpulainen, Tatu, Chukharev, Vladimir, Tkachenko, Nikolai V, Lemmetyinen, Helge, Shimizu, Soji, Kobayashi, Nagao, Sakamaki, Daisuke, Ito, Akihiro, Tanaka, Kazuyoshi, Imahori, Hiroshi

“…5-(Diphenylphosphanyl)-10,15,20-triarylporphyrins (meso-phosphanylporphyrins) underwent complexations with palladium­(II) and platinum­(II) salts to afford…”
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Syntheses, Structures, and Coordination Chemistry of Phosphole-Containing Hybrid Calixphyrins:  Promising Macrocyclic P,N2,X-Mixed Donor Ligands for Designing Reactive Transition-Metal Complexes by Matano, Yoshihiro, Miyajima, Tooru, Ochi, Noriaki, Nakabuchi, Takashi, Shiro, Motoo, Nakao, Yoshihide, Sakaki, Shigeyoshi, Imahori, Hiroshi

“…The syntheses, structures, and coordination chemistry of phosphole-containing hybrid calixphyrins (P,N2,X-hybrid calixphyrins) and the catalytic activities of…”
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Theoretical study on high-spin to low-spin transition of {Fe(pyrazine)[Pt(CN) 4]}: Guest-induced entropy decrease by Ando, Hideo, Nakao, Yoshihide, Sato, Hirofumi, Ohba, Masaaki, Kitagawa, Susumu, Sakaki, Shigeyoshi

“…[Display omitted] ►First study on the mechanism of guest-induced spin transition. ► Large entropy difference in the porous coordination polymer between low and…”
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Theoretical Study of Excited States of Pyrazolate- and Pyridinethiolate-Bridged Dinuclear Platinum(II) Complexes: Relationship between Geometries of Excited States and Phosphorescence Spectra by Saito, Ken, Nakao, Yoshihide, Umakoshi, Keisuke, Sakaki, Shigeyoshi

“…Dinuclear platinum(II) complexes [Pt2(μ-pz)2(bpym)2]2+ (1; pz = pyrazolate and bpym = 2,2′-bipyrimidine) and [Pt2(μ-pyt)2(ppy)2] (2; pyt = pyridine-2-thiolate…”
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A Theoretical Study of Nickel(0)-Catalyzed Phenylcyanation of Alkynes. Reaction Mechanism and Regioselectivity by Ohnishi, Yu-ya, Nakao, Yoshihide, Sato, Hirofumi, Nakao, Yoshiaki, Hiyama, Tamejiro, Sakaki, Shigeyoshi

“…Nickel(0)-catalyzed phenylcyanation of alkyne was theoretically investigated with the DFT(B3PW91) method to clarify the reaction mechanism including the…”
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Carbon Nanotube Wiring of Donor-Acceptor Nanograins by Self-Assembly and Efficient Charge Transport by Umeyama, Tomokazu, Tezuka, Noriyasu, Kawashima, Fumiaki, Seki, Shu, Matano, Yoshihiro, Nakao, Yoshihide, Shishido, Tetsuya, Nishi, Masayuki, Hirao, Kazuyuki, Lehtivuori, Heli, Tkachenko, Nikolai V., Lemmetyinen, Helge, Imahori, Hiroshi

“…Grain wiring: Functionalized single‐wall carbon nanotube wiring between the nanograins of porphyrin (donor)–C60 (acceptor) dyads results in efficient charge…”
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Theoretical Study of Inverted Sandwich Type Complexes of 4d Transition Metal Elements: Interesting Similarities to and Differences from 3d Transition Metal Complexes by Kurokawa, Yusaku I, Nakao, Yoshihide, Sakaki, Shigeyoshi

“…Inverted sandwich type complexes (ISTCs) of 4d metals, (μ-η6:η6-C6H6)­[M­(DDP)]2 (DDPH =…”
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Ruthenium(II)-Catalyzed Hydrogenation of Carbon Dioxide to Formic Acid. Theoretical Study of Significant Acceleration by Water Molecules by Ohnishi, Yu-ya, Nakao, Yoshihide, Sato, Hirofumi, Sakaki, Shigeyoshi

“…Ru-catalyzed hydrogenation of carbon dioxide to formic acid was theoretically investigated with DFT and MP4(SDQ) methods. In the presence of water molecules,…”
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Syntheses and Luminescent Properties of 3,5-Diphenylpyrazolato-Bridged Heteropolynuclear Platinum Complexes. The Influence of Chloride Ligands on the Emission Energy Revealed by the Systematic Replacement of Chloride Ligands by 3,5-Dimethylpyrazolate by Akatsu, Seiji, Kanematsu, Yasunori, Kurihara, Taka-aki, Sueyoshi, Shota, Arikawa, Yasuhiro, Onishi, Masayoshi, Ishizaka, Shoji, Kitamura, Noboru, Nakao, Yoshihide, Sakaki, Shigeyoshi, Umakoshi, Keisuke

“…Heteropolynuclear PtII complexes with 3,5-diphenylpyrazolate [Pt2Ag4(μ-Cl)2(μ-Ph2pz)6] (3), [Pt2Ag2Cl2(μ-Ph2pz)4(Ph2pzH)2] (4), [Pt2Cu2Cl2(μ-Ph2pz)4(Ph2pzH)2]…”
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Theoretical Study of Dioxygen Binding Process in Iron(III) Catechol Dioxygenase: “Oxygen Activation” vs “Substrate Activation” by Nakatani, Naoki, Nakao, Yoshihide, Sato, Hirofumi, Sakaki, Shigeyoshi

“…Dioxygen binding process of nonheme iron(III) center in intradiol catechol dioxygenase was investigated with CASSCF/CASPT2 method to incorporate…”
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Selective Formation and Efficient Photocurrent Generation of [70]Fullerene-Single-Walled Carbon Nanotube Composites by Umeyama, Tomokazu, Tezuka, Noriyasu, Seki, Shu, Matano, Yoshihiro, Nishi, Masayuki, Hirao, Kazuyuki, Lehtivuori, Heli, Tkachenko, Nikolai V., Lemmetyinen, Helge, Nakao, Yoshihide, Sakaki, Shigeyoshi, Imahori, Hiroshi

“…For the first time nanocarbon composites with C70 molecules aligned on the sidewall of single‐walled carbon nanotubes (SWNTs) are demonstrated. The C70–SWNT…”
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Theoretical Study of Low-Spin, High-Spin, and Intermediate-Spin States of [FeIII(pap)2]+ (pap = N-2-pyridylmethylidene-2-hydroxyphenylaminato). Mechanism of Light-Induced Excited Spin State Trapping by Ando, Hideo, Nakao, Yoshihide, Sato, Hirofumi, Sakaki, Shigeyoshi

“…The mechanism of light-induced excited spin state trapping (LIESST) of [FeIII(pap)2]+ (pap = N-2-pyridylmethylidene-2-hydroxyphenylaminato) was discussed on…”
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