The 13th Annual Meeting of Japan Society for Molecular Science

Oral Sessions

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Friday, September 20 (Starting at 9:08)

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.

Friday Morning Sessions(September 20, starting at 9:08)

Venue A [Gas phase]

9:26-9:44 4A02Observations of interstellar molecule CH3CN with population-enhanced J=K rotational levels by radio
(Tokyo University of Science1,Nihon University2,Sophia University3,National Astronomical Observatory of Japan4,Max-Planck-Institut für Radioastronomie5) *Mitsunori Araki1, Shuro Takano2, Takahiro Oyama1,3, Nobuhiko Kuze3, Kazuhisa Kamegai4, Koichi Tsukiyama1, Arnaud Belloche5
9:44-10:02 4A03Analysis of the radiative transition between ortho and para states of S2Cl2 and the exchange symmetr
(Graduate School of Science, Tokyo Institute of Technology1,Depart. Appl. Chem. National Chiao Tung Univ.2) *Hideto Kanamori1, Yasuki Endo2
10:02-10:20 4A04Fourier transform microwave spectrum of cis-3-hexenal
(Sophia University) *Seiya Yoshizawa, Nobuhiko Kuze, Yoshiyuki Kawashima

Venue B [Clusters/particles/nanostructures]

9:08-9:26 4B01Structures and bromide-ion incorporation phenomena of sodium chloride cluster ions
(Graduate School of Science, Tohoku Univ.) *Riki Hotta, Toshiaki Nagata, Motoyoshi Nakano, Fuminori Misaizu
9:26-9:44 4B02Structure assignment and separation of isomers of palladium oxide cluster anions studied by ion mobility mass spectrometry
(Graduate School of Science, Tohoku Univ.) *Mohammad abdul Latif, Toshiaki Nagata, Motoyoshi Nakano, Fuminori Misaizu
9:44-10:02 4B03Application of ion mobility mass spectrometry to multi-element cluster ions
(Graduate School of Science, Tohoku Univ.) *Toshiaki Nagata, Motoyoshi Nakano, Fuminori Misaizu
10:02-10:20 4B04Changes in electronic and geometric structures of Ir cluster anions during growth and oxidation process
(Graduate School of Science, The University of Tokyo1,Graduate School of Science, Tohoku University2,ESICB, Kyoto University3) *Kiichirou Koyasu1,3, Ryohei Tomihara1, Toshiaki Nagata2, Jenna w. j. Wu2, Motoyoshi Nakano2, Keijiro Ohshimo2, Fuminori Misaizu2, Tatsuya Tsukuda1,3

Venue C [Surface/Interface]

9:08-9:26 4C01Development of photoelectron spectrometer for orbital tomography
(RIKEN1,Institute for Molecular Science2,Institute of Materials Structure Science3) *Hiroyuki Yamane1, Fumihiko Matsui2, Takahiro Ueba2, Toshio Horigome2, Seiji Makita2, Kiyohisa Tanaka2, Satoshi Kera2, Nobuhiro Kosugi3
9:26-9:44 4C02Excitation dynamics and photoluminescent properties of perylene ultrathin films investigated by time-resolved 2PPE
(Graduate School of Science, Osaka Univ.) *Takashi Yamada, Natsumi Ito, Noriaki Kawakita, Kenato Araragi, Hiroyuki Kato, Toshiaki Munakata
9:44-10:20 4C03[Invited Talk] Non-adiabatic processes at interfaces and microcavities
(Graduate School of Science, Kyoto Univ.) *Kazuya Watanabe

Venue D [Solid phase]

9:08-9:26 4D01Structures and physical properties of new hydrogen-bonded molecular crystals based on nickel-dithiolene complexes with hydroxy groups
(ISSP, The University of Tokyo1,Faculty of Advanced Science and Technology, Kumamoto University2,KEK PF/CMRC3) *So Yokomori1, Akira Ueda1,2, Shun Dekura1, Reiji Kumai3, Youichi Murakami3, Hatsumi Mori1
9:26-9:44 4D02Physical properties of conductive two-dimensional MOFs Cu-CAT-1 in ultra-low temperatures
(Grad. Sch. Sci., Nagoya Univ.1,RCMS, Nagoya Univ.2,Grad. Sch. Mater. Sci., Univ. of Hyogo3,Grad. Sch. Sci., Nara Women's Univ.4) *Yuki Misumi1, Zhongyue Zhang2, Kunio Awaga1, Akira Yamaguchi3, Masahisa Tsuchiizu4, Taku Matsushita1, Nobuo Wada1
9:44-10:02 4D03Magnetic properties of conjugate type TTF-paramagnetic metal complex [Cu(TTF-Salphen)
(Graduate School of Sci. and , Ibaraki University1,Graduate School of Pure and Appl. Sci., University of Tsukuba2) *Daiki Tauchi1, Aoba Kanesaka1, Takuya Shiga2, Hiroki Oshio2, Hiroyuki Nishikawa1
10:02-10:20 4D04Theoretical study of substitution effect on intramolecular f-π magnetic interaction of TbPc2 complex
(Graduate School of Engineering Science, Osaka Univ.1,Graduate School of Science, Tohoku Univ.2,Advanced Institute for Materials Research, Tohoku Univ.3,Institute for Molecular Science4) *Yasutaka Kitagawa1, Kazuki Ikenaga1, Hayato Tada1, Takuya Fujii1, Iori Era1, Keiichi Katoh2, Masahiro Yamashita2,3, Masayoshi Nakano1,4

Venue E [Theory/Calculation]

9:08-9:26 4E01Quantum chemical exploration of new molecules: structure and stability of polymerized polycyclic aromatic hydrocarbons
(Institute for Quantum Chemical Exploration1,Graduate School of Science, Tohoku University2,ROIS3,University of Zurich4) *Koichi Ohno1,2, Hiroko Satoh1,3,4, Takeaki Iwamoto2
9:26-9:44 4E02Elimination of the mystery of quantum mechanics by quantum electrodynamics (QED) and new predictions
(Kyoto University) *Akitomo Tachibana
9:44-10:02 4E03Isotropic site-site dispersion potential constructed using a geminal auxiliary basis set
(Graduate School of Arts and Science, The University of Tokyo) *Daisuke Yokogawa
10:02-10:20 4E04Calculation of energy derivatives by variational quantum eigensolver
(Graduate School of Engineering Science, Osaka University1,Qunasys Inc.2,Faculty of Engineering Sciences, Kyushu University3) *Kosuke Mitarai1,2, Yuya Nakagawa2, Wataru Mizukami3

Friday Afternoon Sessions(September 20, starting at 13:00)

Venue A   [Gas phase]

13:00-13:18 4A10Infrared spectroscopy of alkali earth metal ion complexes of a partial peptide of K+ ion channel by using electrospray cryogenic ion trap technique
(Laboratory for Chemistry and Life Science, Tokyo Institute of Technology, Japan1,Graduate School of Life Science and Technology, Tokyo Institute of Technology, Japan2,Department of Chemistry, University of Illinois at Urbana-Champaign, USA3,World Research Hub Initiatives, Institute of Innovative Research, Tokyo Institute of Technology, Japan4) *Remina Otsuka1,2, Keisuke Hirata1,2, Lisy James m.1,3,4, Shun-ichi Ishiuchi1,2, Masaaki Fujii1,2,4
13:18-13:36 4A11Spectroscopy of alkali metal ion complexes of a partial peptide of K+ ion channel by using electrospray cryogenic ion trap technique - Hydration effect to Complexation
(Laboratory for Chemistry and Life Science, Tokyo Tech1,Institute of Innovative Research, Tokyo Tech2,School of Life Science and Technology, Tokyo Institute of Technology3) *Takumi Negoro1,3, Shun-ichi Ishiuchi1, James Lisy2, Keisuke Hirata1, Masaaki Fujii1, Yoshimitsu Fukui1,3
13:36-13:54 4A12Influence of microsolvation on the structures of protonated and cationic hydrogen sulfide clusters
(Graduate School of Sci., Tohoku Univ.) *Keigo Hattori, Dandan Wang, Asuka Fujii
13:54-14:12 4A13Observation of the S-pi hemibond: Infrared spectroscopy of [benzene-(H2S)n]+ (n = 1-4)
(Graduate School of Science, Tohoku Univ.) Dandan Wang, Keigo Hattori, *Asuka Fujii

Venue B  [Clusters/particles/nanostructures]

13:00-13:18 4B10Fluorescence enhancement caused by the excitation light confinement in a single microdroplet and its droplet size dependence
(Graduate School of Science, Osaka City Univ.) *Motoya Sano, Tomoyuki Yatsuhashi, Kenji Sakota
13:18-13:36 4B11Single-Molecule Fluorescence Imaging and Spectroscopy of Excited-State Symmetry Breaking
(College of Science, Rikkyo Univ.1,Graduate School of Science, Shizuoka Univ.2) *Masaaki Mitsui1, Yasushi Takakura1, Kazuya Hirata1, Yoshiki Niihori1, Yutaka Fujiwara2, Kenji Kobayashi2
13:36-13:54 4B12Photoexcited Electron Transfer Dynamics between Noble Metal Nanoparticle and Semiconductor Thin Film
(IMS1,Tsukuba Univ.2) *Kenji Iida1, Masashi Noda2
13:54-14:12 4B13Molecular “Hozo”: Dynamic and photophysical properties derived only from molecular meshing
(Graduate School of Arts and Sciences, the University of Tokyo) *Yiyang Zhan, Jingyuan Liao, Qichun Jiang, Tatsuo Kojima, Satoshi Takahashi, Shuichi Hiraoka
14:12-14:30 4B14Surface-enhanced infrared absorption spectroscopy of lanthanide complexes
(Graduate School of Science, Hiroshima Univ.1,Natural Science Center for Basic Research and Development2,National Chiano Tung University3) *Sakiko Hirata1, Takehiro Hirao1, Daisuke Kajiya1,2, Satoru Muramatsu1, Ken-ichi Sitow1,2, Takeharu Haino1, Takayuki Ebata1,3, Yoshiya Inokuchi1

Venue C  [Surface/Interface]

13:00-13:18 4C10Quantum dynamic study on chiral-induced spin-selectivity
(Institute for Molecular Science1,Princeton Univ.2,The Graduate University for Advanced Studies3) *Akihito Kato1, Tatsushi Ikeda1,2, Akihito Ishizaki1,3
13:18-13:36 4C11Bias voltage dependence of surface enhanced Raman scattering observed at disubstituted benzene molecular junctions
(Department of Chemistry, Tokyo Tech.1,NIMS MANA2,JST Presto3) *Satoshi Kaneko1,3, Koji Yasuraoka1, Shuji Kobayashi1, Kazuhito Tsukagoshi2, Manabu Kiguchi1
13:36-13:54 4C12Investigation on electron transport of C60 single molecular junction utilizing surface enhanced Raman scattering and current-voltage characteristics
(Department of Chemistry, Tokyo Tech1,JST PRESTO2,NIMS MANA3) *Koji Yasuraoka1, Shuji Kobayashi1, Satoshi Kaneko1,2, Kazuhito Tsukagoshi3, Manabu Kiguchi1
13:54-14:12 4C13Charge Transport Property of Helicene Derivative
(Graduate School of Science, Tokyo Institute of Technology) *Shintaro Fujii, Kei Fujise, Eiji Tsurumaki, Shinji Toyota, Manabu Kiguchi
14:12-14:30 4C14Single-molecule fluorescence spectroscopy using scanning tunneling microscopy
(Cluster for Pioneering Research, RIKEN1,Northwestern University2,Graduate School of Frontier Sciences, The University of Tokyo3) *Hiroshi Imada1, Miyabi Imai-imada1, Kensuke Kimura1,3, Kuniyuki Miwa2, Yousoo Kim1

Venue E  [Theory/Calculation]

13:00-13:18 4E10Development of Orbital Optimized Variatonal Quantum Eigensolver for NISQ devices
(Faculty of Eng. Sci., Kyushu Univ.1,Grad. School of Eng. Sci., Osaka Univ.2,QunaSys Inc.3,JSR Coporation4) *Wataru Mizukami1, Kosuke Mitarai2,3, Yuya Nakagawa3, Tennin Yan3, Yu-ya Ohnishi4
13:18-13:36 4E11Anomalous orbital degeneracy in metal clusters and dynamical symmetry as its origin
(Tokyo Tech1,JST-ERATO2,FIFC, Kyoto Univ.3) *Naoki Haruta1,2,3, Takamasa Tsukamoto1,2, Akiyoshi Kuzume1,2, Tetsuya Kambe1,2, Kimihisa Yamamoto1,2
13:36-13:54 4E12Theoretical study on the vibronic coupling in singlet fission using constrained-DFT method
(Graduate School of Engineering Science, Osaka Univ.1,Institute for Molecular Science2) *Takanori Nagami1, Takayoshi Tonami1, Kenji Okada1, Wataru Yoshida1, Hajime Miyamoto1, Masayoshi Nakano1,2
13:54-14:12 4E13Electron Transfer Pathway Analysis in Biological Systems Using Fragment Molecular Orbital Method
(JST-PRESTO1,CCS Univ. of Tsukuba2,RIKEN-BDR3) *Hirotaka Kitoh-nishioka1,2, Takao Otsuka3, Yasuteru Shigeta2
14:12-14:30 4E14Molecular orbitals and density of states of large systems with the fragment molecular orbital method
(AIST, CD-FMat) *Dmitri Fedorov

Venue Q  [QSCC]

13:00-13:20 QS09 [invited talk] Two-Dimensional Membranes for Gas Separation
(National Univ. of Singapore) *Dan Zhao
13:20-13:40 QS10 A journey towards Optical and Electronic Applications of Metal–Organic Frameworks
(Academia Sinica) *Kuang-Lieh Lu
13:40-14:00 QS11 A new series of catechol containing Metal Organic Frameworks and their proton conductivity
(Graduate School of Science, Nagoya Univ.1,Graduate School of Engineering, Nagoya Univ.2,College of Chemistry, Peking University3,RCMS, Nagoya University4) *Zhongyue Zhang4,1, Jian Li3, Junliang Sun3, Yunsheng Ma2, Ryotaro Matsuda2, Kunio Awaga1
14:00-14:20 QS12 Migration of Alkali Metal Ions in the Hydrogen-bonded Framework of Anionic Metal Clusters
(Osaka Univ.) *Nobuto Yoshinari
14:40-15:00 QS13 Reactivity Studies of Boron Containing Radicals
(National Taiwan Univ.) *Ching-Wen Chiu
15:00-15:20 QS14 Ferromagnetic polar crystals of MnCr oxalate complex with supramolecular cations for the development of multiferroics
(RIES, Hokkaido Univ.1,Graduate School of Environ. Sci., Hokkaido Univ.2) *Kiyonori Takahashi1,2, Jiabing Wu2, Ichiro Hisaki1,2, Takayoshi Nakamura1,2
15:20-15:40 QS15 Palladium-Catalyzed Site-Selective Multicomponent Cross Coupling
(Chinese Univ. of Hong Kong) *Fuk Yee Kwong,
15:40-16:00 QS16 Jumping crystal of hydrogen‐bonded organic framework induced by collective molecular motion of twisted π system
(IMRAM, Tohoku Univ.1,Graduate School of Eng. Tohoku Univ.2) *Takashi Takeda1,2, Masataka Ozawa2, Tomoyuki Akutagawa1,2
16:20-16:40 QS17 Reversible Homolytic Activation of Water via Metal-Ligand Cooperativity in a T-Shaped Ni(II) Complex
(Academia Sinica) *Mu-Chieh Chang
16:40-17:00 QS18 Development of Molecular Modules for Artificial Photosynthesis
(Osaka Univ.) *Shigeyuki Masaoka
17:00-17:20 QS19 Complexes of Porphyrin Analogues in Catalytic Small-Molecule Activations and Incorporations
(Academia Sinica) *Chen-Hsiung Hung
17:20-18:00 QSPL Molecular Metal Wires From Homonuclear Metal String Complexes to Heteronuclear Metal String Complexes
(National Taiwan Univ.) *Shie-Ming Peng