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2018
11 Citations (Scopus)

Adsorption and Activation of Methane on the (110) Surface of Rutile-type Metal Dioxides

Tsuji, Y. & Yoshizawa, K., Jul 12 2018, In : Journal of Physical Chemistry C. 122, 27, p. 15359-15381 23 p.

Research output: Contribution to journalArticle

Methane
dioxides
rutile
methane
Metals
5 Citations (Scopus)

Aerobic oxidation of alkanes on icosahedron gold nanoparticle Au55

Staykov, A. T., Miwa, T. & Yoshizawa, K., Aug 1 2018, In : Journal of Catalysis. 364, p. 141-153 13 p.

Research output: Contribution to journalArticle

Alkanes
Gold
Paraffins
alkanes
Hydroxylation
7 Citations (Scopus)

Catalytic Performance of a Dicopper-Oxo Complex for Methane Hydroxylation

Hori, Y., Shiota, Y., Tsuji, T., Kodera, M. & Yoshizawa, K., Jan 2 2018, In : Inorganic chemistry. 57, 1, p. 8-11 4 p.

Research output: Contribution to journalArticle

Hydroxylation
Methane
methane
Chemical activation
methane monooxygenase
28 Citations (Scopus)

Catalytic Reduction of Molecular Dinitrogen to Ammonia and Hydrazine Using Vanadium Complexes

Sekiguchi, Y., Arashiba, K., Tanaka, H., Eizawa, A., Nakajima, K., Yoshizawa, K. & Nishibayashi, Y., Jul 16 2018, In : Angewandte Chemie - International Edition. 57, 29, p. 9064-9068 5 p.

Research output: Contribution to journalArticle

hydrazine
Vanadium
Hydrazine
Ammonia
Bearings (structural)
5 Citations (Scopus)

Cobalt-Carbon Bond Formation Reaction via Ligand Reduction of Porphycene-Cobalt(II) Complex and Its Noninnocent Reactivity

Koide, T., Aritome, I., Saeki, T., Morita, Y., Shiota, Y., Yoshizawa, K., Shimakoshi, H. & Hisaeda, Y., Jan 1 2018, In : ACS Omega. 3, 4, p. 4027-4034 8 p.

Research output: Contribution to journalArticle

Cobalt
Carbon
Ligands
Metals
porphycene
4 Citations (Scopus)

Combined theoretical and experimental study on alcoholysis of amides on CeO2 surface: A catalytic interplay between Lewis acid and base sites

Kamachi, T., Siddiki, S. M. A. H., Morita, Y., Rashed, M. N., Kon, K., Toyao, T., Shimizu, K. I. & Yoshizawa, K., Apr 1 2018, In : Catalysis Today. 303, p. 256-262 7 p.

Research output: Contribution to journalArticle

Lewis Bases
Lewis Acids
Amides
Catalysts
Acids
5 Citations (Scopus)

Contribution of Coulomb Interactions to a Two-Step Crystal Structure Phase Transformation Coupled with a Significant Change in Spin Crossover Behavior for a Series of Charged FeII Complexes from 2,6-Bis(2-methylthiazol-4-yl)pyridine

Takahashi, K., Okai, M., Mochida, T., Sakurai, T., Ohta, H., Yamamoto, T., Einaga, Y., Shiota, Y., Yoshizawa, K., Konaka, H. & Sasaki, A., Feb 5 2018, In : Inorganic chemistry. 57, 3, p. 1277-1287 11 p.

Research output: Contribution to journalArticle

Coulomb interactions
Sulfur
phase transformations
Cations
Enthalpy
1 Citation (Scopus)

Density-Functional Tight-Binding Study on the Effects of Interfacial Water in the Adhesion Force between Epoxy Resin and Alumina Surface

Yoshizawa, K., Murata, H. & Tanaka, H., Nov 27 2018, In : Langmuir. 34, 47, p. 14428-14438 11 p.

Research output: Contribution to journalArticle

Epoxy Resins
Aluminum Oxide
epoxy resins
Epoxy resins
adhesion
4 Citations (Scopus)

DFT exploration of active site motifs in methane hydroxylation by Ni-ZSM-5 zeolite

Mahyuddin, M. H. & Yoshizawa, K., Jan 1 2018, In : Catalysis Science and Technology. 8, 22, p. 5875-5885 11 p.

Research output: Contribution to journalArticle

Hydroxylation
Methane
Density functional theory
Methanol
Chemical activation
7 Citations (Scopus)

Dioxygen Activation on Cu-MOR Zeolite: Theoretical Insights into the Formation of Cu2O and Cu3O3 Active Species

Mahyuddin, M. H., Tanaka, T., Staykov, A., Shiota, Y. & Yoshizawa, K., Aug 20 2018, In : Inorganic chemistry. 57, 16, p. 10146-10152 7 p.

Research output: Contribution to journalArticle

Zeolites
Chemical activation
activation
Oxygen
Methane
15 Citations (Scopus)

Disilaruthena- and Ferracyclic Complexes Containing Isocyanide Ligands as Effective Catalysts for Hydrogenation of Unfunctionalized Sterically Hindered Alkenes

Sunada, Y., Ogushi, H., Yamamoto, T., Uto, S., Sawano, M., Tahara, A., Tanaka, H., Shiota, Y., Yoshizawa, K. & Nagashima, H., Mar 21 2018, In : Journal of the American Chemical Society. 140, 11, p. 4119-4134 16 p.

Research output: Contribution to journalArticle

Hydrogenation
Cyanides
Alkenes
Olefins
Ligands
1 Citation (Scopus)

Effects of electron-phonon coupling on quantum interference in polyenes

Tsuji, Y. & Yoshizawa, K., Oct 7 2018, In : Journal of Chemical Physics. 149, 13, 134115.

Research output: Contribution to journalArticle

Polyenes
interference
Atoms
Electrons
Electrodes
4 Citations (Scopus)

Formation and Isolation of a Four-Electron-Reduced Porphyrin Derivative by Reduction of a Stable 20π Isophlorin

Suzuki, W., Kotani, H., Ishizuka, T., Shiota, Y., Yoshizawa, K. & Kojima, T., Feb 12 2018, In : Angewandte Chemie - International Edition. 57, 7, p. 1973-1977 5 p.

Research output: Contribution to journalArticle

Porphyrins
Derivatives
Electrons
Conformations
Protons
10 Citations (Scopus)

Ground-State Copper(III) Stabilized by N-Confused/N-Linked Corroles: Synthesis, Characterization, and Redox Reactivity

Maurya, Y. K., Noda, K., Yamasumi, K., Mori, S., Uchiyama, T., Kamitani, K., Hirai, T., Ninomiya, K., Nishibori, M., Hori, Y., Shiota, Y., Yoshizawa, K., Ishida, M. & Furuta, H., Jun 6 2018, In : Journal of the American Chemical Society. 140, 22, p. 6883-6892 10 p.

Research output: Contribution to journalArticle

Organometallics
Ground state
Oxidation-Reduction
Copper
Shells (structures)
2 Citations (Scopus)

Importance of the Reactant-State Potentials of Chromium(V)-Oxo Complexes to Determine the Reactivity in Hydrogen-Atom Transfer Reactions

Kotani, H., Kaida, S., Ishizuka, T., Mieda, K., Sakaguchi, M., Ogura, T., Shiota, Y., Yoshizawa, K. & Kojima, T., Nov 5 2018, In : Inorganic Chemistry. 57, 21, p. 13929-13936 8 p.

Research output: Contribution to journalArticle

Chromium
Hydrogen
chromium
hydrogen atoms
reactivity
3 Citations (Scopus)

Interaction of SrO-terminated SrTiO3 surface with oxygen, carbon dioxide, and water

Staykov, A., Fukumori, S., Yoshizawa, K., Sato, K., Ishihara, T. & Kilner, J., Jan 1 2018, In : Journal of Materials Chemistry A. 6, 45, p. 22662-22672 11 p.

Research output: Contribution to journalArticle

Carbon Dioxide
Carbon dioxide
Oxygen
Water
Molecular oxygen
3 Citations (Scopus)

Intermediate-Spin Iron(III) Complexes Having a Redox-Noninnocent Macrocyclic Tetraamido Ligand

Kojima, T., Ogishima, F., Nishibu, T., Kotani, H., Ishizuka, T., Okajima, T., Nozawa, S., Shiota, Y., Yoshizawa, K., Ohtsu, H., Kawano, M., Shiga, T. & Oshio, H., Aug 20 2018, In : Inorganic chemistry. 57, 16, p. 9683-9695 13 p.

Research output: Contribution to journalReview article

Iron
Ligands
iron
ligands
Oxidation
6 Citations (Scopus)

Mechanistic Insights into Homogeneous Electrocatalytic and Photocatalytic Hydrogen Evolution Catalyzed by High-Spin Ni(II) Complexes with S2N2-Type Tetradentate Ligands

Hong, D., Tsukakoshi, Y., Kotani, H., Ishizuka, T., Ohkubo, K., Shiota, Y., Yoshizawa, K., Fukuzumi, S. & Kojima, T., Jun 18 2018, In : Inorganic chemistry. 57, 12, p. 7180-7190 11 p.

Research output: Contribution to journalArticle

Protons
Hydrogen
chelates
Ligands
ligands
30 Citations (Scopus)

Methane Partial Oxidation over [Cu2(μ-O)]2+ and [Cu3(μ-O)3]2+ Active Species in Large-Pore Zeolites

Mahyuddin, M. H., Tanaka, T., Shiota, Y., Staykov, A. & Yoshizawa, K., Feb 2 2018, In : ACS Catalysis. 8, 2, p. 1500-1509 10 p.

Research output: Contribution to journalArticle

Zeolites
Methane
Oxidation
Methanol
Density functional theory
1 Citation (Scopus)

NH Tautomerism of a Quadruply Fused Porphyrin: Rigid Fused Structure Delays the Proton Transfer

Saegusa, Y., Ishizuka, T., Shiota, Y., Yoshizawa, K. & Kojima, T., Jan 11 2018, In : Journal of Physical Chemistry B. 122, 1, p. 316-327 12 p.

Research output: Contribution to journalArticle

Pyrroles
Proton transfer
Porphyrins
rigid structures
porphyrins
2 Citations (Scopus)

Synthesis and reactivity of titanium- and zirconium-dinitrogen complexes bearing anionic pyrrole-based PNP-type pincer ligands

Sekiguchi, Y., Meng, F., Tanaka, H., Eizawa, A., Arashiba, K., Nakajima, K., Yoshizawa, K. & Nishibayashi, Y., Jan 1 2018, In : Dalton Transactions. 47, 33, p. 11322-11326 5 p.

Research output: Contribution to journalArticle

hydrazine
Bearings (structural)
Pyrroles
X ray analysis
Titanium
16 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
6 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
19 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
47 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
74 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
32 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
44 Citations (Scopus)

Roles of Zeolite Confinement and Cu-O-Cu Angle on the Direct Conversion of Methane to Methanol by [Cu2(μ-O)]2+-Exchanged AEI, CHA, AFX, and MFI Zeolites

Mahyuddin, M. H., Staykov, A., Shiota, Y., Miyanishi, M. & Yoshizawa, K., Jun 2 2017, In : ACS Catalysis. 7, 6, p. 3741-3751 11 p.

Research output: Contribution to journalArticle

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
11 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. & 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
21 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