The 17th Annual Meeting of Japan Society for Molecular Science 2023

Oral Sessions

Thursday, September 14

For each presentation, the alphabet in the Presentation Number indicates the location, the first digit the day of the presentation (the 1st, 2nd, 3rd, or 4th day of the meeting), and the last two the order within each day for that venue.


Thursday Morning Sessions

Venue A [Gas phase]

9:00-9:18
3A01 A New Method to Determine the Absolute Photodissociation Cross Section of a Species without Knowing Its Concentration
(IAMS, Academia Sinica1,Dep. Chem., Nat'l Taiwan Univ.2) Yen-hsiu Lin1,2, *Jim Lin1,2
9:18-9:36
3A02 Conformation and proton transfer reaction of bimolecular Ion in gas phase
(Yokohama City Univ.) *Shinji Nonose, Soju Tomiyama, Kuga Ishii, Koki Sasano, Sogo Yoshino
9:36-9:54
3A03 Clarifying the mechanism of intramolecular proton transfer reaction of hydrated nicotine by cold ion trap infrared spectroscopy method
(School of Science, Tokyo Institute of Technology1,University of Washington2,Pacific Northwest National Laboratory3,School of Life Science and Technology, Tokyo Institute of Technology4,Laboratory for Chemistry and Life Science, Tokyo Institute of Technology5) *Yuika Okura1, Santis Garrett2, Keisuke Hirata1, Xantheas Sotiris3, Masaaki Fujii4,5, Shun-ichi Ishiuchi1
9:54-10:12
3A04 Infrared spectroscopic investigation of the ionization-induced proton-transfer reaction of methylamine-water cluster
(Graduate School of Science, Tohoku Univ.) *Yoshiyuki Matsuda, Ryo Iwase, Asuka Fujii
10:12-10:30
3A05 Mass analysis and gas-phase spectroscopy of chemical intermediates in photoallylation reaction of dicyanonaphthalens in solution: relation between cyano positions and reaction mechanism
(Hiroshima University) Ryosuke Goda, Satoru Muramatsu, *Yoshiya Inokuchi
10:48-11:06
3A07 Generation of CH3Zn(X2A1) in the 223 nm photolysis of (CH3)2Zn and the elementary processes by collisions with He
(Grad. Sch. Adv. Sci. Eng., Hiroshima Univ.) *Naoki Koide, Misato Haze, Yuuka Okuda, Katsuyoshi Yamasaki, Hiroshi Kohguchi
11:06-11:24
3A08 Ultrafast dynamics in furan molecule studied using extreme ultraviolet photoelectron spectroscopy
(Graduate School of Science, Kyoto University) Ryuta Uenishi, *Alexie Boyer, Kazuki Maeda, Toshinori Suzuki
11:24-11:42
3A09 Ultrafast internal conversion in benzene toluene and o-xylene
(Graduate School of Science, Kyoto Univ1,Synopsys Inc2,Universität Würzburg3) *Kazuki Maeda1, Alexie Boyer1, Ryuuta Uenishi1, Shutaro Karashima1, Alexander Humeniuk2, Mitric Roland3, Toshinori Suzuki1
11:42-12:00
3A10 Ultrafast ring-closure reaction of cis-stilbene molecule
(Graduate School of Science, Kyoto Univ.1,Institut für Physikalische und Theoretische Chemie, Universitat Würzburg2) *Shutaro Karashima1, Xincheng Miao2, Akio Kanayama1, Yo-ichi Yamamoto1, Junichi Nishitani1, Nikita Kavka2, Roland Mitric2, Toshinori Suzuki1

Venue B [Clusters/particles/nanostructures]

9:00-9:18
3B01 Ligand-protected metal clusters with exposed sites: precision synthesis, complexation, and linkage
(Graduate School of Science, The University of Tokyo1,School of Materials and Chemical Technology, Tokyo Institute of Technology2) *Yuto Fukumoto1, Tsubasa Omoda2, Haru Hirai1, Shinjiro Takano1, Tatsuya Tsukuda1
9:18-9:36
3B02 Synthesis of thiol-protected Au clusters using dendrimer complexes
(Lab. Chem. & Life Sci., Tokyo Institute of Technology1,JST-ERATO2,JST-PRESTO3,Institute of Industrial Science, UTokyo4) *Hisanori Muramatsu1, Tetsuya Kambe1,2, Takamasa Tsukamoto2,3,4, Takane Imaoka1,2, Kimihisa Yamamoto1,2
9:36-10:12
3B03 Synthesis of Multi-element Subnanoparticles using Dendrimer Template
(CLS,Tokyo Tech.) *Kimihisa Yamamoto
10:30-10:48
3B06 Diphosphine-protected 18 electron superatom M@Au12 (M = Re, W): synthesis and structural characterization
(The Univ. of Tokyo) *Shinjiro Takano, Tatsuya Tsukuda
10:48-11:06
3B07 Induction of Thermally-Activated Delayed Fluorescence and Its Mechanism Elucidation in Ligand-Protected Au2Cu6 Clusters
(Graduated School of Science, Rikkyo Univ.) *Daichi Arima, Masaaki Mitsui
11:06-11:24
3B08 Creation of Metal-Cluster-Linkage based on Ligand Exchange Reaction
(Research Institute for Science & Technology, Tokyo Univ. of Science1,Graduate School of Science, Tokyo Univ. of Science2) *Yoshiko Niihori1, Taiga Kosaka2, Yuichi Negishi1,2
11:24-11:42
3B09 Study on the molecular adsorption behavior of phosphine-ligated heterometallic clusters in structural isomerization
(Graduate School of Science, Tokyo Metropolitan Univ.1,JASRI2,Graduate School of Science and Technology, Kumamoto Univ.3) *Tomoki Matsuyama1, Taishi Suzuki1, Soichi Kikkawa1, Kotaro Higashi2, Tomoya Uruga2, Junya Ohyama3, Kiyofumi Nitta2, Naoki Nakatani1, Seiji Yamazoe1
11:42-12:00
3B10 Synthesis of indium metalloid clusters
(Grad. School of Science, The Univ. of Tokyo) *Kiichirou Koyasu, Tatsuya Tsukuda

Venue C [Liquid phase]

9:18-9:36
3C02 Development of a methodology of describing molecular permeation through lipid membranes
(Graduate School of Engineering Science, Osaka Univ.) *Yuya Matsubara, Ren Masayama, Kento Kasahara, Nobuyuki Matubayasi
9:36-9:54
3C03 Vibrational frequency fluctuations of thermoresponsive polymer in water at the lower critical solution temperature studied with 2D-IR spectroscopy and MD simulation
(Graduate School of Science, Kobe Univ.1,Department of Chemical Science and Engineering, Tokyo National College of Technology2,Graduate School of System Informatics, Kobe Univ.3,Molecular Photoscience Research Center, Kobe Univ.4) *Yuki Fujii1, Hikaru Ioka1, Chihiro Minamoto2, Ikuo Kurisaki3, Shigenori Tanaka3, Kaoru Ohta4, Keisuke Tominaga1,4
9:54-10:12
3C04 All-atom simulation of chain-transfer alkene polymerization reaction of (pyridylamido)Hf catalyst: Effect of microscopic steric hindrance on polymerization properties
(Graduate School of Informatics, Nagoya Univ.1,Future Value Creation Research Center, Nagoya Univ.2) *Shuhei Kanesato1, Katsuhisa Yasoshima1, Nobuaki Koga1, Masataka Nagaoka1,2
10:12-10:48
3C05 [Invited Talk] Analysis of Intermolecular Interactions and Molecular Vibrational Mode Characteristics by Referring to Electron Densities
(Faculty of Engineering, Shizuoka Univ.) *Hajime Torii
11:06-11:24
3C08 Ultrafast emergence of the inhomogeneity of hydrated electrons elucidated by transient two-dimensional electronic spectroscopy using sub-10-fs pulses
(Mol. Spectrosc. Lab., RIKEN1,RAP, RIKEN2) *Korenobu Matsuzaki1,2, Tahei Tahara1,2
11:24-11:42
3C09 Single-molecule excitation-emission spectroscopy in solution at room temperature
(Research Center of Integrative Molecular Systems, Institute for Molecular Science1,Graduate Institute for Advanced Studies, SOKENDAI2) *Yusuke Yoneda1,2, Hikaru Kuramochi1,2
11:42-12:00
3C10 Ultrafast intersystem crossing associated with structural change in thienyl diketone derivatives
(Kyushu University1,Institute for Molecular Science2,Osaka University3,ICS-OTRI, Osaka Univ.4) *Shuji Kimura1, Takumi Ehara1, Kiyoshi Miyata1, Yusuke Yoneda2, Hikaru Kuramochi2, Yosuke Tani3,4, Ken Onda1

Venue D [Solid phase]

9:00-9:18
3D01 Control of polar/antipolar structures by end-cap modulation in layered crystalline organic semiconductors
(AIST1,Univ. of Tokyo2,NIMS3) *Toshiki Higashino1, Satoru Inoue2, Shunto Arai2,3, Seiji Tsuzuki2, Tatsuo Hasegawa2
9:18-9:36
3D02 Control of Physical Properties of BTBT Derivatives bearing Tetraethylene Glycol and Chiral Alkylamide Chains
(Graduate School of Engineering, Tohoku Univ.1,Faculty of Science, Shinshu Univ.2,IMRAM, Tohoku Univ.3,Graduate School of Engineering, Kyoto Univ.4) *Kohei Sambe1, Takashi Takeda2, Shun Dekura1,3, Wakana Matsuda4, Kanae Tsujita1, Shingo Maruyama1, Shunsuke Yamamoto1, Shu Seki4, Yuji Matsumoto1, Tomoyuki Akutagawa1,3
9:36-9:54
3D03 Crystal structures and semiconductor properties of π-extended 2-(thiopyran-4-ylidene)-1,3-benzodithiole (TP-BT) analogs
(Graduate School of Engineering, University of Hyogo1,Department of Chemistry, Konan University2) *Hiroshi Nishimoto1, Tomofumi Kadoya2, Takeshi Kawase1, Jun-ichi Nishida1
9:54-10:12
3D04 Non-thermal equilibrium process of charge extraction in metal/insulator/organic semiconductor/metal junction
(Graduate School of Science, University of Hyogo1,Konan University2) *Hiroyuki Tajima1, Tomofumi Kadoya2
10:30-10:48
3D06 Current measurements of helical assemblies composed of achiral Co(Ⅱ) phthalocyanine by MC-AFM
(SOKENDAI1,Institute for Molecular Science2,RIKEN Spring-8 Center3,Institute of Multidisciplinary Research for Advanced Materials, Tohoku University4) *Hiroki Aizawa1,2, Takuro Sato1,2, Koji Yonekura3,4, Saori Yonekura-maki3, Yu Hamaguchi3, Kiyofumi Takaba3, Taketoshi Minato2, Hiroshi Yamamoto1,2
10:48-11:06
3D07 Color modulation of N,N'-dihydroxynaphthalenediimide by controlled deprotonation
(Graduate School of Science, Tohoku Univ.1,Graduate School of Frontier Sciences, Tokyo Univ.2,Graduate School of Engineering, Nagoya Univ.3) *Tappei Tanabe1, Tetsu Sato2, Kentaro Fuku1, Shinya Takaishi1, Ryota Sakamoto1, Hiroaki Iguchi3
11:06-11:24
3D08 Water Vapor-Induced Superionic Conduction in a Magnesium-Ion-Containing Metal–Organic Framework
(Graduate School of Science, Tokyo University of Science) *Kaori Taniguchi, Masaaki Sadakiyo
11:24-11:42
3D09 Non-reprocical superconductivity in chiral van der Waals superlattices
(Graduate School of Engineering, Kyoto Univ.1,IMR, Tohoku Univ.2,JST-FOREST3) Ichiro Oya1, Yuki Nakano1, Motoi Kimata2, Shu Seki1, *Masayuki Suda1,3
11:42-12:00
3D10 Crystal structures and physical properties of fluorinated TCNQ radical anion salts with cations incorporating alkyl groups
(Grad. Sch. Sci., Kyoto Univ.1,Fac. Sci., Kyoto Univ.2,AHSE, Kyoto Univ.3) *Reo Masuda1, Tsugumi Yano1, Yuri Ishikawa2, Manabu Ishikawa1, Akihiro Otsuka1,3, Yoshiaki Nakano1,3

Venue E [Theory/Calculation]

9:00-9:18
3E01 Computational analysis of chemical reactions using a variational quantum eigensolver algorithm without specifying spin multiplicity
(Toyota Central R&D Labs., Inc.1,QunaSys Inc.2) *Soichi Shirai1, Hokuto Iwakiri2, Keita Kanno2, Takahiro Horiba1, Keita Omiya2, Hirotoshi Hirai1, Sho Koh2
9:18-9:36
3E02 A consideration of the Density-Functional based Tight-Binding description for Halogen bonding interaction toward drug discovery
(Graduate School of Science and Engineering, Chuo University1,Faculty of Science and Engineering, Chuo University2,JST ACT-X3) *Nichika Ozawa1, Nahoko Kuroki2,3, Hirotoshi Mori2
9:36-9:54
3E03 Path integral hybrid Monte Carlo study on structure and superfluidity of quantum clusters
(Faculty of Mathematics and Physics, Kanazawa University) *Shinichi Miura
9:54-10:12
3E04 Prediction of hole mobility by FMO-DFTB and kMC
(Kyocera coorporation) *Hiroya Nakata
10:30-10:48
3E06 Development and application of FMO-DPD method
(Rikkyo Univ.1,IIS, Univ. Tokyo2,JSOL3) Koji Okuwaki1,3, Hideo Doi1, Taku Ozawa3, *Yuji Mochizuki1,2
10:48-11:06
3E07 Analysis of interactions in electronic excited states
(AIST, CD-FMat) *Dmitri Fedorov
11:06-11:24
3E08 A neural network accelerated search scheme to understand the reactions of disaccharides
(Institute of Atomic and Molecular Sciences, Academia Sinica) *Pei-kang Tsou, Huu trong Phan, Jer-lai Kuo
11:24-12:00
3E09 Exploring Molecular Theory of Complex Reaction Systems Toward a Deeper Understanding of Molecular Science
(Graduate School of Informatics, Nagoya Univ.1,Future Value Creation Research Center, Nagoya Univ.2) *Masataka Nagaoka1,2

Thursday Afternoon Sessions

Venue A [Gas phase]

13:30-13:48
3A11 Femtosecond-order structural analysis with MFPAD (Molecular Frame Photoelectron Angular Distribution) in photodissociation of water molecules
(Dep. Phys., Univ. Toyama1,Graduate School of Science, Tohoku Univ.2,EuXFEL3,DESY4,Dep. Phys., Univ. Hamburg5) *Daichi Kobayashi1, Shigeru Abe1, Yoshiaki Tamura1, Keisuke Hatada1, Kiyoshi Ueda2, Till Jahnke3, Ludger Inhester4, Robin Santra4,5
13:48-14:06
3A12 Mass spectrometry of many-body reactions in CH4/O2 induced by femtosecond laser filament
(Grad. Sch. of Sci., Nagoya U1,RCMS, Nagoya U2) *Akitaka Matsuda1, Aoi Sakagami1, Nana Fujikawa1, Akiyoshi Hishikawa1,2
14:06-14:24
3A13 Time-resolved electron-ion coincidence spectroscopy with EUV-FEL : Photodissociation processes of CH3I
(Nagoya Univ.1,RIKEN2,JASRI3,Univ. of Toyama4,名大RCMS5) *Mizuho Fushitani1,2, Shunsuke Amaike1, Yuki Ono1, Wataru Yamazaki1, Shigeki Owada2,3, Tadashi Togashi2,3, Kyo Nakajima2,3, Makina Yabashi2,3, Akitaka Matsuda1,2, Keiko Kato1, Yasumasa Hikosaka2,4, Akiyoshi Hishikawa1,2,5
14:24-15:00
3A14 State-Resolved Dynamics Study for Multi-dimension and Multi-surface Reaction Systems
(Graduate School of Advance Science and Engineering, Hiroshima Univ.) *Hiroshi Kohguchi

Venue B [Surface/Interface]

13:30-14:06
3B11 Spin effects in hydrogen reaction on solid surfaces
(IIS, Univ. Tokyo1,ASRC, JAEA2) *Katsuyuki Fukutani1,2
14:06-14:24
3B13 Negative charge conductivity in low-temperature water ice
(ILTS, Hokkaido Univ1,RIKEN Nishina Center2) *Masashi Tsuge1, Kensei Kitajima1, Yoichi Nakai2, W.m.c. Sameera1, Naoki Watanabe1
14:24-14:42
3B14 Surface structure analysis of cryogenic amorphous water ice by infrared multiple angle incidence resolution spectrometry
(The University of Tokyo) *Takeshi Hasegawa, Hiroto Yanagisawa, Takumi Nagasawa, Naoki Numadate, Tetsuya Hama
14:42-15:00
3B15 Impact of the emulsifiers on the coconuts oil/water interfaces
(Graduate School of Science and Engineering, Chiba University1,Molecular Chirality Research Center, Chiba University2,Soft Molecular Activation Research Center, Chiba University3,Megmilk Snow Brand4) *Takayuki Miyamae1,2,3, Ryosuke Obuchi1, Yoshihide Kagiyama1, Wataru Kaneko4, Tomohito Hanazawa4
15:00-15:18
3B16 Observation of interaction between gramicidin A and supported lipid bilayers by total internal reflection Raman spectroscopy
(Graduate School of Science and Technology, University of Tsukuba) *Saya Suzuki, Masato Kondoh, Taka-aki Ishibashi

Venue C [Liquid phase]

13:30-13:48
3C11 Topology-dependent fluorescence property and exciton diffusion dynamics in supramolecular polymers of a pi-electron system
(Graduate School of Engineering Science, Osaka Univ.1,Graduate School of Science and Engineering, Chiba Univ.2,IAAR, Chiba Univ.3) *Hikaru Sotome1, Sho Takahashi2, Shiki Yagai3, Hiroshi Miyasaka1
13:48-14:06
3C12 Microsolvation dynamics of a solvatochromic molecule: Effect of hydrogen bonding on nonradiative decay of phenol blue
(LifeSciences, Ritsumeikan1,Energy Science, Kyoto Univ.2) *Yutaka Nagasawa1, Tsubasa Hidaka1, Taketomo Tanaka1, Takayuki Murai1, Takahiro Teramoto2
14:06-14:24
3C13 Effect of trace impurities in liquid fatty acid reagents on uv absorption spectra
(Graduate School of Arts and Sciences, The Univ. of Tokyo1,Institute of Pure and Applied Sciences, Univ. of Tsukuba2) *Shota Saito1, Naoki Numadate1, Hidemasa Teraoka1, Hirokazu Kobayashi1, Shinichi Enami2, Tetsuya Hama1
14:24-14:42
3C14 Evaluating local viscosity in choline-chloride-based deep eutectic solvents by picosecond time-resolved fluorescence spectroscopy and comparison with ionic liquids
(Faculty of Science, Gakushuin Univ.) *Naoki Sakurai, Koichi Iwata
14:42-15:00
3C15 Changes in the fundamental chemical reactions in the excited-state induced by the non-equilibrium solvation due to optical Kerr effect
(AIST1,Graduate School of Science and Engineering, Doshisha Univ.2) *Kaori Fujii1, Yoshifumi Kimura2

Venue D [Solid phase]

13:30-13:48
3D11 Quantum griffiths singularity in light-induced 2D superconducting phase on the surface of molecular Mott insulator
(Graduate School of Engineering, Kyoto University1,Graduate School of Frontier Sciences, University of Tokyo2,IMR, Tohoku University3,Institute for Molecular Science4,JST-FOREST5) *Bin Chen1, Kenichiro Hashimoto2, Motoi Kimata3, Takahiko Sasaki3, Shu Seki1, Hiroshi Yamamoto4, Masayuki Suda1,5
13:48-14:06
3D12 Dope – Non-dope transitions of organic conductors, β´´-(BEDT-TTF)2XC2H4SO3 (2)
(Graduate School of Science, Osaka University1,ISSP, The University of Tokyo2) *Hiroki Akutsu1, Yasuhiro Nakazawa1, Shusaku Imajo2
14:06-14:24
3D13 Crystal structure and physical properties of a new organic conductor κ''-(ET)2Cu[N(CN)2]Br
(Div. of Chem., Grad. Sch. of Sci., Kyoto Univ.) *Soichiro Yasaka, Mitsuhiko Maesato, Yukihiro Yoshida, Hiroshi Kitagawa
14:24-14:42
3D14 Higher conductivity of EDOT oligomeric conductors by substitution of chalcogen at the terminal group
(The Institute for Solid State Physics, The University of Tokyo1,Department of Advanced Materials Science, The University of Tokyo2) *Kota Onozuka1, Tomoko Fujino1, Tatsuya Miyamoto2, Takashi Yamakawa2, Hiroshi Okamoto2, Hatsumi Mori1
14:42-15:00
3D15 Physical properties of neutral radical crystals composed of metal tetrabenzoporphyrin complex under high pressure
(Graduate School of Science and Technology, Kumamoto Univ.1,Faculty of Advanced Science and Technology, Kumamoto Univ.2,Graduate School of Science, Osaka Univ.3) *Kosuke Mine1, Noriaki Hanasaki3, Hiroshi Murakawa3, Masaki Matsuda2
15:00-15:18
3D16 Development of novel molecular conductors and magnets based on solid solution formation using open-shell and closed-shell molecules
(College of Science, Rikkyo University1,ISSP, The University of Tokyo2,Graduate School of Engineering, Tohoku University3,Institute of Multidisciplinary Research for Advanced Materials, Tohoku University4) *So Yokomori1, Shun Sato1, Daisuke Nishio-hamane2, Shun Dekura2,3,4, Hatsumi Mori2, Nobuyuki Matsushita1

Venue E [Theory/Calculation]

13:30-13:48
3E11 Nuclear quantum effect in the phase transition from Ice VII to ice X
(Graduate School of Nanobioscience, Yokohama City University) *Kazuaki Kuwahata, Masanori Tachikawa
13:48-14:06
3E12 Extension of dynamic Monte Carlo method to interacting many-particle systems in the heterogeneous environments
(Graduate School of Frontier Sciences) *Susumu Okazaki
14:06-14:24
3E13 Calculation of absorption and fluorescence spectra by Kubo's stochastic theory
(Graduate School of Science, Nagoya Univ.1,ITbM2,IMS3) *Shion Sendo1, Kazuhiro Fujimoto1,2, Shinji Saito3, Takeshi Yanai1,2
14:24-14:42
3E14 Investigating the Structure of Water using Machine Learning Potentials and Path Integral Molecular Dynamics
(Center for Computational Science and e-Systems, JAEA) *Bo Thomsen, Motoyuki Shiga
14:42-15:00
3E15 Prediction of logP values with orbital energies and machine learning
(Department of Chemistry, Josai University) *Hiroyuki Teramae