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Research Output 1983 2019

2018
15 Citations (Scopus)

Theoretical Overview of Methane Hydroxylation by Copper-Oxygen Species in Enzymatic and Zeolitic Catalysts

Mahyuddin, M. H., Shiota, Y., Staykov, A. T. & Yoshizawa, K., Oct 16 2018, In : Accounts of Chemical Research. 51, 10, p. 2382-2390 9 p.

Research output: Contribution to journalReview article

Hydroxylation
methane monooxygenase
Methane
Copper
Zeolites
5 Citations (Scopus)

Trithiazolyl-1,3,5-triazines bearing decyloxybenzene moieties: Synthesis, photophysical and electrochemical properties, and self-assembly behavior

Kato, S. I., Jin, S., Kimura, T., Yoshikawa, N., Nara, D., Imamura, K., Shiota, Y., Yoshizawa, K., Katoono, R., Yamanobe, T., Uehara, H. & Nakamura, Y., Jan 1 2018, In : Organic and Biomolecular Chemistry. 16, 19, p. 3584-3595 12 p.

Research output: Contribution to journalArticle

Bearings (structural)
Thiazoles
Triazines
Electrochemical properties
Self assembly
Bearings (structural)
Ruthenium
Porphyrins
Complexation
Discrete Fourier transforms
2017
5 Citations (Scopus)

Acid-Base Properties of a Freebase Form of a Quadruply Ring-Fused Porphyrin - Stepwise Protonation Induced by Rigid Ring-Fused Structure

Saegusa, Y., Ishizuka, T., Shiota, Y., Yoshizawa, K. & Kojima, T., Jan 6 2017, In : Journal of Organic Chemistry. 82, 1, p. 322-330 9 p.

Research output: Contribution to journalArticle

Protonation
Porphyrins
Pyrroles
Acids
Nitrogen
18 Citations (Scopus)

An Azulene-Fused Tetracene Diimide with a Small HOMO–LUMO Gap

Koide, T., Takesue, M., Murafuji, T., Satomi, K., Suzuki, Y., Kawamata, J., Terai, K., Suzuki, M., Yamada, H., Shiota, Y., Yoshizawa, K. & Tani, F., Aug 1 2017, In : ChemPlusChem. 82, 7, p. 1010-1014 5 p.

Research output: Contribution to journalArticle

Electronic properties
Photons
azulene
naphthacene
9 Citations (Scopus)

Anisotropic Change in the Magnetic Susceptibility of a Dynamic Single Crystal of a Cobalt(II) Complex

Yao, Z. S., Wu, S. Q., Kitagawa, Y., Su, S. Q., Huang, Y. G., Li, G. L., Ni, Z. H., Nojiri, H., Shiota, Y., Yoshizawa, K., Kang, S., Kanegawa, S. & Sato, O., Jan 1 2017, In : Angewandte Chemie - International Edition. 56, 3, p. 717-721 5 p.

Research output: Contribution to journalArticle

Cobalt
Magnetic susceptibility
Oxalates
Single crystals
Angular momentum
12 Citations (Scopus)

Catalytic C-H amination driven by intramolecular ligand-to-nitrene one-electron transfer through a rhodium(III) centre

Fujita, D., Sugimoto, H., Shiota, Y., Morimoto, Y., Yoshizawa, K. & Itoh, S., Jan 1 2017, In : Chemical Communications. 53, 35, p. 4849-4852 4 p.

Research output: Contribution to journalArticle

Amination
Rhodium
Ligands
Electrons
Xanthenes
43 Citations (Scopus)

Catalytic nitrogen fixation via direct cleavage of nitrogen-nitrogen triple bond of molecular dinitrogen under ambient reaction conditions

Arashiba, K., Eizawa, A., Tanaka, H., Nakajima, K., Yoshizawa, K. & Nishibayashi, Y., Jan 1 2017, In : Bulletin of the Chemical Society of Japan. 90, 10, p. 1111-1118 8 p.

Research output: Contribution to journalArticle

Nitrogen fixation
Ammonia
Catalyst activity
Bearings (structural)
Nitrogen
3 Citations (Scopus)

Computational approach to nitrogen fixation on molybdenum–dinitrogen complexes

Tanaka, H. & Yoshizawa, K., Jan 1 2017, Topics in Organometallic Chemistry. Springer Verlag, p. 171-196 26 p. (Topics in Organometallic Chemistry; vol. 60).

Research output: Chapter in Book/Report/Conference proceedingChapter

Nitrogen fixation
Bearings (structural)
Reaction intermediates
Coordination Complexes
Metal complexes

Efficient 1H NMR chiral discrimination of sulfoxides caused by the dynamic nature of (R,R)-3′,3″-biBINOL

Kawanami, T., Ishizuka, K., Furuno, H., Shiota, Y., Yoshizawa, K. & Inanaga, J., Nov 15 2017, In : Tetrahedron Asymmetry. 28, 11, p. 1587-1590 4 p.

Research output: Contribution to journalArticle

Sulfoxides
Chirality
chirality
Discrete Fourier transforms
Dimers
6 Citations (Scopus)

Electrical Conductance and Diode-Like Behavior of Substituted Azulene

El-Nahas, A. M., Staykov, A. T. & Yoshizawa, K., Feb 9 2017, In : Journal of Physical Chemistry C. 121, 5, p. 2504-2511 8 p.

Research output: Contribution to journalArticle

azulene
Green's function
Density functional theory
Diodes
diodes
1 Citation (Scopus)

Electrical conductivity of dithiophene-based diblock molecular junctions

El-Nahas, A. M., Gamea, A., El-Hendawy, M. M. & Yoshizawa, K., Jan 1 2017, In : Computational and Theoretical Chemistry. 1099, p. 64-74 11 p.

Research output: Contribution to journalArticle

Electric Conductivity
thiols
electrical resistivity
rectification
Hamiltonians
3 Citations (Scopus)

Formation of supramolecular hetero-triads by controlling the hydrogen bonding of conjugate bases with a diprotonated porphyrin based on electrostatic interaction

Suzuki, W., Kotani, H., Ishizuka, T., Shiota, Y., Yoshizawa, K. & Kojima, T., Jan 1 2017, In : Chemical Communications. 53, 47, p. 6359-6362 4 p.

Research output: Contribution to journalArticle

Porphyrins
Coulomb interactions
Hydrogen bonds
Acids
Thermodynamic stability
8 Citations (Scopus)

Frontier Orbital Perspective for Quantum Interference in Alternant and Nonalternant Hydrocarbons

Tsuji, Y. & Yoshizawa, K., May 4 2017, In : Journal of Physical Chemistry C. 121, 17, p. 9621-9626 6 p.

Research output: Contribution to journalArticle

Hydrocarbons
Quantum interference phenomena
hydrocarbons
interference
Molecular electronics
1 Citation (Scopus)

Isolation and phototransformation of enantiomerically pure iridium(III) bis[(4,6-difluorophenyl)pyridinato-N,C2]picolinate

Wang, Y., Harada, T., Shiota, Y., Yoshizawa, K., Wang, H., Wang, S., Ye, X., Ogasawara, M. & Nakano, T., Jan 1 2017, In : RSC Advances. 7, 47, p. 29550-29553 4 p.

Research output: Contribution to journalArticle

Iridium
Enantiomers
picolinic acid
30 Citations (Scopus)

Phenylamine-functionalized mesoporous silica supported PdAg nanoparticles: A dual heterogeneous catalyst for formic acid/CO2-mediated chemical hydrogen delivery/storage

Mori, K., Masuda, S., Tanaka, H., Yoshizawa, K., Che, M. & Yamashita, H., Jan 1 2017, In : Chemical Communications. 53, 34, p. 4677-4680 4 p.

Research output: Contribution to journalArticle

formic acid
Aniline Compounds
Formic acid
Aniline
Catalyst supports
12 Citations (Scopus)
Gems
Alkenes
Olefins
Styrenes
Cyclopropanes
8 Citations (Scopus)

Photochemical Intramolecular C−H Addition of Dimesityl(hetero)arylboranes through a [1,6]-Sigmatropic Rearrangement

Ando, N., Fukazawa, A., Kushida, T., Shiota, Y., Itoyama, S., Yoshizawa, K., Matsui, Y., Kuramoto, Y., Ikeda, H. & Yamaguchi, S., Jan 1 2017, In : Angewandte Chemie - International Edition. 56, 40, p. 12210-12214 5 p.

Research output: Contribution to journalArticle

Photochemical reactions
Photolysis
Absorption spectra
Wavelength
Lasers
8 Citations (Scopus)

Redox Potentials of Cobalt Corrinoids with Axial Ligands Correlate with Heterolytic Co-C Bond Dissociation Energies

Morita, Y., Oohora, K., Sawada, A., Kamachi, T., Yoshizawa, K. & Hayashi, T., Feb 20 2017, In : Inorganic Chemistry. 56, 4, p. 1950-1955 6 p.

Research output: Contribution to journalArticle

Corrinoids
Cobalt
cobalt
dissociation
Ligands
71 Citations (Scopus)

Remarkable catalytic activity of dinitrogen-bridged dimolybdenum complexes bearing NHC-based PCP-pincer ligands toward nitrogen fixation

Eizawa, A., Arashiba, K., Tanaka, H., Kuriyama, S., Matsuo, Y., Nakajima, K., Yoshizawa, K. & Nishibayashi, Y., Apr 4 2017, In : Nature communications. 8, 14874.

Research output: Contribution to journalArticle

Bearings (structural)
Nitrogen fixation
nitrogenation
Nitrogen Fixation
Ammonia
29 Citations (Scopus)

Rhenium-Loaded TiO2: A Highly Versatile and Chemoselective Catalyst for the Hydrogenation of Carboxylic Acid Derivatives and the N-Methylation of Amines Using H2 and CO2

Toyao, T., Siddiki, S. M. A. H., Morita, Y., Kamachi, T., Touchy, A. S., Onodera, W., Kon, K., Furukawa, S., Ariga, H., Asakura, K., Yoshizawa, K. & Shimizu, K. I., Oct 20 2017, In : Chemistry - A European Journal. 23, 59, p. 14848-14859 12 p.

Research output: Contribution to journalArticle

Rhenium
Methylation
Carboxylic Acids
Carboxylic acids
Hydrogenation
43 Citations (Scopus)
Zeolites
Methane
Methanol
Density functional theory
Hydroxylation
24 Citations (Scopus)

Specific Enhancement of Catalytic Activity by a Dicopper Core: Selective Hydroxylation of Benzene to Phenol with Hydrogen Peroxide

Tsuji, T., Zaoputra, A. A., Hitomi, Y., Mieda, K., Ogura, T., Shiota, Y., Yoshizawa, K., Sato, H. & Kodera, M., Jan 1 2017, In : Angewandte Chemie - International Edition. 56, 27, p. 7779-7782 4 p.

Research output: Contribution to journalArticle

Hydroxylation
Phenol
Benzene
Hydrogen peroxide
Hydrogen Peroxide
5 Citations (Scopus)

Synergy of electrostatic and van der waals interactions in the adhesion of epoxy resin with carbon-fiber and glass surfaces

Yoshizawa, K., Semoto, T., Hitaoka, S., Higuchi, C., Shiota, Y. & Tanaka, H., Jan 1 2017, In : Bulletin of the Chemical Society of Japan. 90, 5, p. 500-505 6 p.

Research output: Contribution to journalArticle

Epoxy Resins
Electrostatics
Adhesion
Adhesives
Glass
9 Citations (Scopus)

Theoretical Investigation of Methane Hydroxylation over Isoelectronic [FeO]2+- and [MnO]+-Exchanged Zeolites Activated by N2O

Mahyuddin, M. H., Shiota, Y., Staykov, A. T. & Yoshizawa, K., Sep 5 2017, In : Inorganic Chemistry. 56, 17, p. 10370-10380 11 p.

Research output: Contribution to journalArticle

Zeolites
Hydroxylation
Methane
zeolites
methane
6 Citations (Scopus)

Thermodynamics and Photodynamics of a Monoprotonated Porphyrin Directly Stabilized by Hydrogen Bonding with Polar Protic Solvents

Suzuki, W., Kotani, H., Ishizuka, T., Ohkubo, K., Shiota, Y., Yoshizawa, K., Fukuzumi, S. & Kojima, T., Jan 1 2017, In : Chemistry - A European Journal. 23, 19, p. 4669-4679 11 p.

Research output: Contribution to journalArticle

Porphyrins
Hydrogen bonds
Thermodynamics
Electrons
Acetone

TiO2-Supported Re as a General and Chemoselective Heterogeneous Catalyst for Hydrogenation of Carboxylic Acids to Alcohols

Toyao, T., Siddiki, S. M. A. H., Touchy, A. S., Onodera, W., Kon, K., Morita, Y., Kamachi, T., Yoshizawa, K. & Shimizu, K. I., Jan 23 2017, In : Chemistry - A European Journal. 23, 5, 1 p.

Research output: Contribution to journalComment/debate

Carboxylic Acids
Carboxylic acids
Hydrogenation
Alcohols
Catalysts
20 Citations (Scopus)

TiO2-Supported Re as a General and Chemoselective Heterogeneous Catalyst for Hydrogenation of Carboxylic Acids to Alcohols

Toyao, T., Siddiki, S. M. A. H., Touchy, A. S., Onodera, W., Kon, K., Morita, Y., Kamachi, T., Yoshizawa, K. & Shimizu, K. I., Jan 1 2017, In : Chemistry - A European Journal. 23, 5, p. 1001-1006 6 p.

Research output: Contribution to journalArticle

Carboxylic Acids
Carboxylic acids
Hydrogenation
Alcohols
Catalysts
7 Citations (Scopus)
Alkenes
Computer aided manufacturing
Hydrogenation
Osmium
Carbon Monoxide

メタン活性化を目指したインフォマティクス

Translated title of the contribution: Catalyst Informatics on Methane Activation on Various Metal Alloys蒲池高志, 斎藤雅史, 辻雄太 & 吉澤一成, 2017, In : Journal of Computer Chemistry, Japan. 16, 5, p. 147-148 2 p.

Research output: Contribution to journalArticle

Methane
Screening
Metals
Chemical activation
Catalysts
2016
14 Citations (Scopus)

A New Family of Anionic FeIII Spin Crossover Complexes Featuring a Weak-Field N2O4 Coordination Octahedron

Takahashi, K., Kawamukai, K., Okai, M., Mochida, T., Sakurai, T., Ohta, H., Yamamoto, T., Einaga, Y., Shiota, Y. & Yoshizawa, K., Jan 22 2016, In : Chemistry - A European Journal. 22, 4, p. 1253-1257 5 p.

Research output: Contribution to journalArticle

Ligands
Magnetic susceptibility
Discrete Fourier transforms
Anions
Negative ions
11 Citations (Scopus)

A Ruthenium(III)–Oxyl Complex Bearing Strong Radical Character

Shimoyama, Y., Ishizuka, T., Kotani, H., Shiota, Y., Yoshizawa, K., Mieda, K., Ogura, T., Okajima, T., Nozawa, S. & Kojima, T., Jan 1 2016, In : Angewandte Chemie - International Edition. 55, 45, p. 14041-14045 5 p.

Research output: Contribution to journalArticle

Bearings (structural)
Ruthenium
Oxidation
Benzoic Acid
Benzoic acid
9 Citations (Scopus)

A Square-Planar Complex of Platinum(0)

Takeuchi, K., Taguchi, H. O., Tanigawa, I., Tsujimoto, S., Matsuo, T., Tanaka, H., Yoshizawa, K. & Ozawa, F., Jan 1 2016, In : Angewandte Chemie - International Edition. 55, 49, p. 15347-15350 4 p.

Research output: Contribution to journalArticle

Platinum
Geometry
Ligands
Discrete Fourier transforms
Pyridine
16 Citations (Scopus)

Azaferrocene-Based PNP-Type Pincer Ligand: Synthesis of Molybdenum, Chromium, and Iron Complexes and Reactivity toward Nitrogen Fixation

Kuriyama, S., Arashiba, K., Nakajima, K., Tanaka, H., Yoshizawa, K. & Nishibayashi, Y., Jan 1 2016, In : European Journal of Inorganic Chemistry. 2016, 30, p. 4856-4861 6 p.

Research output: Contribution to journalArticle

Nitrogen fixation
Molybdenum
Chromium
Iron
Ligands
106 Citations (Scopus)

Catalytic transformation of dinitrogen into ammonia and hydrazine by iron-dinitrogen complexes bearing pincer ligand

Kuriyama, S., Arashiba, K., Nakajima, K., Matsuo, Y., Tanaka, H., Ishii, K., Yoshizawa, K. & Nishibayashi, Y., Jul 20 2016, In : Nature communications. 7, 12181.

Research output: Contribution to journalArticle

hydrazine
Bearings (structural)
hydrazines
Nitrogen fixation
nitrogenation
2 Citations (Scopus)

Computational mutation study of the roles of catalytic residues in coenzyme B12-dependent diol dehydratase

Doitomi, K., Kamachi, T., Toraya, T. & Yoshizawa, K., Jan 1 2016, In : Bulletin of the Chemical Society of Japan. 89, 8, p. 955-964 10 p.

Research output: Contribution to journalArticle

Propanediol Dehydratase
Enzymes
Stabilization
Activation energy
Deprotonation
4 Citations (Scopus)
Cyclobutanes
Ground state
Dimerization
Energy gap
Molecules
7 Citations (Scopus)

Crystal Structures and Coordination Behavior of Aqua- and Cyano-Co(III) Tetradehydrocorrins in the Heme Pocket of Myoglobin

Morita, Y., Oohora, K., Mizohata, E., Sawada, A., Kamachi, T., Yoshizawa, K., Inoue, T. & Hayashi, T., Feb 1 2016, In : Inorganic Chemistry. 55, 3, p. 1287-1295 9 p.

Research output: Contribution to journalArticle

myoglobin
Myoglobin
Cyanides
cyanides
Heme
1 Citation (Scopus)

DFT Study on the pH Dependence of the Reactivity of Ferrate(VI)

Kamachi, T., Miyanishi, M. & Yoshizawa, K., Jan 1 2016, Ferrites and Ferrates: Chemistry and Applications in Sustainable Energy and Environmental Remediation. Kim, H., Varma, R. S., Doong, R., Doong, R., Kim, H., Sharma, V. K. & Dionysiou, D. D. (eds.). American Chemical Society, p. 473-487 15 p. (ACS Symposium Series; vol. 1238).

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Density functional theory
Oxidants
Water
Methanol
Chemical activation
50 Citations (Scopus)

Direct Conversion of Methane to Methanol by Metal-Exchanged ZSM-5 Zeolite (Metal = Fe, Co, Ni, Cu)

Mahyuddin, M. H., Staykov, A. T., Shiota, Y. & Yoshizawa, K., Dec 2 2016, In : ACS Catalysis. 6, 12, p. 8321-8331 11 p.

Research output: Contribution to journalArticle

Methane
Methanol
Metals
Catalyst activity
Activation energy
6 Citations (Scopus)

Directional Electron Transfer in Crystals of [CrCo] Dinuclear Complexes Achieved by Chirality-Assisted Preparative Method

Kanegawa, S., Shiota, Y., Kang, S., Takahashi, K., Okajima, H., Sakamoto, A., Iwata, T., Kandori, H., Yoshizawa, K. & Sato, O., Nov 2 2016, In : Journal of the American Chemical Society. 138, 43, p. 14170-14173 4 p.

Research output: Contribution to journalArticle

Chirality
Electrons
Polarization
Ligands
Crystals
80 Citations (Scopus)

Direct Transformation of Molecular Dinitrogen into Ammonia Catalyzed by Cobalt Dinitrogen Complexes Bearing Anionic PNP Pincer Ligands

Kuriyama, S., Arashiba, K., Tanaka, H., Matsuo, Y., Nakajima, K., Yoshizawa, K. & Nishibayashi, Y., Jan 1 2016, In : Angewandte Chemie - International Edition. 55, 46, p. 14291-14295 5 p.

Research output: Contribution to journalArticle

Bearings (structural)
hydrazine
Cobalt
Ammonia
Ligands
5 Citations (Scopus)

Energetic mechanism of cytochrome c-cytochrome c oxidase electron transfer complex formation under turnover conditions revealed by mutational effects and docking simulation

Sato, W., Hitaoka, S., Inoue, K., Imai, M., Saio, T., Uchida, T., Shinzawa-Itoh, K., Yoshikawa, S., Yoshizawa, K. & Ishimori, K., Jul 15 2016, In : Journal of Biological Chemistry. 291, 29, p. 15320-15331 12 p.

Research output: Contribution to journalArticle

Electron Transport Complex IV
Cytochromes c
Static Electricity
Free energy
Electrons
11 Citations (Scopus)

First-principles calculations of electron transport through azulene

El-Nahas, A. M., Staykov, A. T. & Yoshizawa, K., May 5 2016, In : Journal of Physical Chemistry C. 120, 17, p. 9043-9052 10 p.

Research output: Contribution to journalArticle

azulene
Hamiltonians
Naphthalene
Green's function
Density functional theory
10 Citations (Scopus)

Formation and High Reactivity of the anti-Dioxo Form of High-Spin μ-Oxodioxodiiron(IV) as the Active Species That Cleaves Strong C-H Bonds

Kodera, M., Ishiga, S., Tsuji, T., Sakurai, K., Hitomi, Y., Shiota, Y., Sajith, P. K., Yoshizawa, K., Mieda, K. & Ogura, T., Apr 18 2016, In : Chemistry - A European Journal. 22, 17, p. 5924-5936 13 p.

Research output: Contribution to journalArticle

Alkanes
Oxidants
Paraffins
Substrates
Toluene
1 Citation (Scopus)
Hysteresis
Polymers
Thiosemicarbazones
Cations
Hydrogen bonds
16 Citations (Scopus)

Heterometallic FeIII/K Coordination Polymer with a Wide Thermal Hysteretic Spin Transition at Room Temperature

Kang, S., Shiota, Y., Kariyazaki, A., Kanegawa, S., Yoshizawa, K. & Sato, O., Jan 11 2016, In : Chemistry - A European Journal. 22, 2, p. 532-538 7 p.

Research output: Contribution to journalArticle

Alkali Metals
Hysteresis
Polymers
Alkali metals
Cations
30 Citations (Scopus)

Homogeneous Photocatalytic Water Oxidation with a Dinuclear CoIII-Pyridylmethylamine Complex

Ishizuka, T., Watanabe, A., Kotani, H., Hong, D., Satonaka, K., Wada, T., Shiota, Y., Yoshizawa, K., Ohara, K., Yamaguchi, K., Kato, S., Fukuzumi, S. & Kojima, T., Feb 1 2016, In : Inorganic Chemistry. 55, 3, p. 1154-1164 11 p.

Research output: Contribution to journalArticle

Oxidation
oxidation
Water
Oxidants
water
81 Citations (Scopus)

Interplay between Theory and Experiment for Ammonia Synthesis Catalyzed by Transition Metal Complexes

Tanaka, H., Nishibayashi, Y. & Yoshizawa, K., May 17 2016, In : Accounts of Chemical Research. 49, 5, p. 987-995 9 p.

Research output: Contribution to journalArticle

Nitrogen fixation
Coordination Complexes
Ammonia
Transition metals
Molybdenum
17 Citations (Scopus)

Intraprotein transmethylation via a CH3-Co(iii) species in myoglobin reconstituted with a cobalt corrinoid complex

Morita, Y., Oohora, K., Sawada, A., Doitomi, K., Ohbayashi, J., Kamachi, T., Yoshizawa, K., Hisaeda, Y. & Hayashi, T., Jan 1 2016, In : Dalton Transactions. 45, 8, p. 3277-3284 8 p.

Research output: Contribution to journalArticle

Corrinoids
Myoglobin
Cobalt
5-Methyltetrahydrofolate-Homocysteine S-Methyltransferase
Derivatives