第11回分子科学討論会

Oral Sessions

Monday, September 18 (Starting at 9:00)

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.

Monday Morning Sessions(September 18, starting at 9:00)

Venue A [Gas phase]

9:00-9:18 4A01Emergence of chirality via photoionization of helical molecular orbital by circularly polarized light
(Health Sci. Univ. Hokkaido)*Yoshi-ichi Suzuki
9:18-9:36 4A02Penning ionization electron spectroscopy and spherical hypersphere search study on conformational stability of alanine, serine, and cysteine
(Univ. of Electro-Communications1,Univ. of Electro-Communications2)*Yoshihiro Yamakita1,Ishiguro Yuki1,Yosuke Takano2,Ryo Takahashi2
9:36-9:54 4A03Large enhancement of dissociative double-electron excitation over dissociative single-electron excitation in electron collisions with NH3
(Tokyo Tech1,Sophia Univ.2)*Kouichi Hosaka1,Kai Minamizaki1,Toshinori Tsuchida1,Kazufumi Yachi1,Takeshi Odagiri2,Takuro Maeda1,Masashi Kitajima1,Noriyuki Kouchi1
9:54-10:30 4A04[Young Scientist Award Talk]Molecular orbital imaging by multi-dimensional electron spectroscopy
(IMRAM, Tohoku Univ.)*Masakazu Yamazaki
10:30-10:40
Break
10:40-10:58 4A06Visible photodissociation processes of CO2 dimer cation studied by ion imaging technique
(Graduate School of Science, Tohoku University1,Faculty of Science, Tohoku University2,Institute for Excellence in Higher Education, Tohoku University3)*Yuji Nakashima1,Kenichi Okutsu1,Yuri Ito2,Motoyoshi Nakano1,3,Keijiro Ohshimo1,Fuminori Misaizu1
10:58-11:16 4A07Detection of electronically excited NH2 fragment in the ultraviolet photodissociation of methylamine
(Graduate School of Science, Hiroshima Univ.)*Yuuki Onitsuka,Katsuyoshi Yamasaki,Hiroshi Kohguchi
11:16-11:34 4A08Study of fast predissociaiton dynamics from the S3(1B2) state of carbon disulfide
(Graduate School of Science, Kyoto Univ.)*Takuya Horio,Toshinori Suzuki
11:34-12:10 4A09[Invited Talk]Reaction dynamics studied by a crossed-beam ion velocity mapping technique.
(Graduate School of Material Science, University of Hyogo)*Kenji Honma

Venue B [Clusters/particles/nanostructures]

9:00-9:18 4B01Synthesis of metal nanoparticles using ionic liquids with reducing ability
(Graduate School of Science and Engineering, Doshisha Univ.1,Department of Science and Engineering, Doshisha Univ.2)*Shinya Okazoe1,Yoshiro Yasaka2,Masakatsu Ueno2,Yoshifumi Kimura1
9:18-9:36 4B02Atom precise milligram scale synthesis of Ptn (n = 5-12)
(Lab. Chem. Life Sci., Tokyo Tech.1,JST-ERATO2,JST-PRESTO3)*Yuki Akanuma1,Takane Imaoka1,2,3,Kimihisa Yamamoto1,2
9:36-9:54 4B03Synthesis and catalytic function of size-controlled palladium nanoparticles using various dendrimers as a template
(Laboratory for Chemistry and Life Science, Tokyo Tech1,JST-ERATO2,ICU3,JST-PRESTO4)*Hirokau Kitazawa1,2,Taku Kofuku1,Ken Albrecht1,2,Wang jae Chun3,Takane Imaoka1,2,4,Kimihisa Yamamoto1,2
9:54-10:12 4B04Analysis of blinking surface-enhanced Raman scattering and fluorescence by simultaneous bi-color video imaging
(School of Sci. and Tech., Kwansei Gakuin Univ.)*Yasutaka Kitahama,Yumi Nishiyama,Yukihiro Ozaki
10:12-10:30 4B05NaTaO3photocatalysts: electron-hole recombination restricted by Sr2+ doping
(Graduate School of Science, Kobe Univ.1,Graduate School of Engineering, Chiba Univ.2)Longjie An1,Takuro Sasaki2,Nobuyuki Ichikuni2,*Hiroshi Onishi1
10:30-10:40
Break
10:40-10:58 4B06Negative thermal expansion in anular molecular nanocarbons
(JST-ERATO1,Graduate School of Science, Nagoya Univ.2,WPI-ITbM, Nagoya Univ.3)*Noriaki Ozaki1,Hirotoshi Sakamoto1,Kenichiro Itami1,2,3
10:58-11:16 4B07Holey graphene protected non-precious metal for hydrogen evolution in acid solution
(University of Tsukuba1,JST-PRESTO2,Tohoku Univesrity3,Toyama Prefectural University4)*Yoshikazu Ito1,2,Daisuke Hojo3,Mitsuru Wakisaka4,2,Tadafumi Adshiri3
11:16-11:34 4B08Charge transport through individual graphene nanoribbons
(Graduate School of Science and Engineering, Tokyo Institute of Technology)*Shintaro Fujii,Manabu Kiguchi
11:34-11:52 4B09Dynamics of Hot Electron Transfer in Semiconductor Nanoparticle-Methyl Viologen Systems
(Kwansei Gakuin University)*Tomoki Okuhata,Kouhei Nonaka,Tetsuro Katayama,Li Wang,Naoto Tamai
11:52-12:10 4B10Biexcitonic spectral shift and slow electron cooling in type I CdSe/CdS core/shell QDs
(Graduate School of Science, Kwansei Gakuin Univ.)*Li Wang,Kouhei Nonaka,Tomoki Okuhata,Naoto Tamai

Venue C  [Surface/Interface/Solid phase]

9:00-9:18 4C01In-plane molecular orientation in guest-host spin-coated thin films
(Program for Leading Grad. Sch., Kyushu Univ.1,JST-ERATO2,Nano-Sci. and Eng., Waseda Univ.3,Org. Nano. Innov., Waseda Univ.4,Grad. Sch. Info. Sci. Eng., Kyushu Univ.5)*Takeshi Komino1,2,Hiroyuki Kuwae3,Akiko Okada3,Weixin Fu3,Jun Mizuno4,Jean-charles Ribierre2,Yuji Oki2,5,Chihaya Adachi1,2
9:18-9:36 4C02Charge transfer mechanism in excitons at the donor/acceptor interfaces in quest of descriptors of organic solar cell performance
(Japan Women's Univ.1,The Univ. of Tokyo2,Nara Institute of Science and Technology3,Kyoto Univ.4,JST, CREST5)*Azusa Muraoka1,5,Mikiya Fujii2,5,Kenji Mishima2,Hiroaki Benten3,5,Hideo Ohkita4,5,Koichi Yamashita2,5
9:36-9:54 4C03Estimation of charge-injection barriers at the metal/semiconductor interface through accumulated charge measurement
(Graduate School of Material Science, Univ. of Hyogo1,Graduate School of Engineering, Univ. of Hyogo2)*Tomofumi Kadoya1,Masato Otuka1,Akinari Ogino1,Seiichi Sato1,Tokuji Yokomatsu2,Tokuji Maenaka2,Jun-ichi Yamada1,Hiroyuki Tajima1
9:54-10:12 4C04Characterization of the charge transport properties in OLEDs by time-resolved electric-field induced sum-frequency generation spectroscopy
(AIST1,CEREBA2)*Takayuki Miyamae1,2,Noriyuki Takada1,Hiroshi Ohata2,Tetsuo Tsutsui2
10:12-10:30 4C05Origin of rest potentials and performances of electric-double-layer field-effect transistors
(Graduate School of Science, Nagoya Univ.)*Chihiro Nanjo,Michio M. matsushita,Kunio Awaga
10:30-10:40
Break
10:40-11:16 4C06[Invited Talk]New organic semiconductors based on heteroaromatic compounds
(Graduate School of Science,Tohoku Univ.1,RIKEN,CEMS2)*Kazuo Takimiya1,2
11:16-11:34 4C08Generation and relaxation process of charge carriers in porphyrin-based organic thin films studied by time-resolved terahertz spectroscopy
(Molecular Photoscience Research Center, Kobe Univ.1,Graduate School of Science, Kobe Univ.2,NAIST3)*Kaoru Ohta1,2,Yuichi Hiramatsu2,Kohtaro Takahashi3,Yuto Tamura3,Hiroko Yamada3,Keisuke Tominaga1,2
11:34-11:52 4C09IR Electroabsorption spectroscopic study of organic–inorganic hybrid perovskites: External electric field effects on the organic cation
(Graduate School of Science and Technology, Kwansei Gakuin Univ.)*Shogo Toda,Ayaka Yokokura,Tomoyo Fukumaru,Shinsuke Shigeto
11:52-12:10 4C10CPPhen-carbon nanoring-based vortex LB films and their carbonized materials
(JST-ERATO and Graduate School of Science, Nagoya Univ.1,WPI-ITbM, Nagoya Univ.2,MANA, NIMS3,Graduate School of Frontier Sciences, Univ. of Tokyo4)*Hiroyuki Tanaka1,Taizo Mori3,Amit Dalui3,Lok Shrestha3,Nobuhiko Mitoma1,Hirotoshi Sakamoto1,Kenichiro Itami1,2,Katsuhiko Ariga3,4

Venue D  [Biomolecules]

9:18-9:36 4D02Analysis of hydrogen bonding breakage path of supercooled water
(Graduate School of Engineering Science, Osaka University)*Takuma Kikutsuji,Kang Kim,Nobuyuki Matubayasi
9:36-9:54 4D03Brownian motion analysis in water-ethanol mixture system
(Nihon Univ.)*Kazuki Furukawa,Sumito Kuronuma,Ken Judai
9:54-10:12 4D04Phase transition mechanism of aqueous solution that has lower critical solution temperature studied by soft X-ray absorption spectroscopy
(IMS1,SOKENDAI2)*Masanari Nagasaka1,2,Takuji Ohigashi1,2,Hayato Yuzawa1,Nobuhiro Kosugi1,2
10:12-10:30 4D05Novel approach for determining concentration fluctuation of supercritical solutions based on diffraction experiments
(Graduate School of Science, Chiba Univ.)*Takeshi Morita,Satoshi Shibuta,Yoshitada Tanaka,Yohko Shiroma,Keiko Nishikawa
10:30-10:40
Break
10:40-10:58 4D06Light-harvesting dynamics of photosystem II core complex observed by ultrafast energy transfer of beta-carotene
(Graduate School of Engineering Science, Osaka Univ.1,College of Life Sciences, Ritsumeikan Univ.2,PRESTO, Japan Science and Technology Agency (JST)3,the Research Institute for Interdisciplinary Science (RIIS), Okayama Univ.4)*Yusuke Yoneda1,Yutaka Nagasawa2,3,Hiroshi Miyasaka1,Yasufumi Umena4
10:58-11:16 4D07Investigation of lycopene aggregation in vitro and in vivo using UV-VIS and Raman spectroscopies
(School of science and technology, Kwansei Gakuin University1,College of Life Sciences, China Jiliang University2,Faculty of Life and Environmental Sciences, University of Tsukuba3)*Mika Ishigaki1,Meksiarun Phiranuphon1,Yasutaka Kitahama1,Zhang Leilei2,Hideki Hashimoto1,Takuma Genkawa3,Yukihiro Ozaki1
11:16-11:34 4D08Wavelength dependent ultrafast energy transfer in biohybrid light-harvesting antenna complex.
(Life Science, Ritsumeikan Univ.1,JST PRESTO2,Grad. Sch. Eng. Scie., Osaka Univ.3,Grad. Sch. Eng., Nagoya Inst. Tech.4,OCARINA, Osaka City Univ.5,Sch. Scie., Nagoya Univ.6)*Yutaka Nagasawa1,2,Yusuke Yoneda3,Hiroshi Miyasaka3,Daiki Mori4,Naoto Mizutani4,Masaharu Kondo4,Takehisa Dewa4,Tomoyasu Noji5,Mamoru Nango5,Shigeru Itoh6
11:34-11:52 4D09Single-Molecule Fluorescence Spectroscopy of Photosystem I Complex
(Graduate School of Science, Tohoku Univ.1,Research Institute for Interdisciplinary Science, Okayama Univ.2,Division of Material Science (Physics), Nagoya Univ.3)*Yutaka Shibata1,Takanori Kobayashi1,Ting Du1,Sankar Jana1,Ryo Nagao2,Takumi Noguchi3
11:52-12:10 4D10Single-molecule spectroscopy unveiled protein dynamics regulating photoprotective energy dissipation in photosynthesis
(Dept. Chem., MIT1,MIT-Harvard Center for Excitonics2,Dept. Biotech., Univ. Verona3)*Toru Kondo1,2,Alberta Pinnola3,Wei jia Chen1,Luca Dall'osto3,Roberto Bassi3,Gabriela Schlau-cohen1,2

Venue F  [Theory/Calculation]

9:00-9:18 4F01Evaluation of aromaticity for open-shell molecular systems based on magnetically induced current calculated by the GIMIC method
(Graduate School of Enginerring Science, Osaka Univ.1,Department of Chemistry, University of Namur2)*Takanori Nagami1,Vincent Liegeois2,Benoit Champagne2,Jun-ya Fujiyoshi1,Masaki Yamane1,Masayoshi Nakano1
9:18-9:36 4F02Computational Approach to Excited State Intramolecular Proton Transfer (ESIPT) Emission Mechanism of Zn(II) complex
(Graduate School of Chemical Sciences and Engineering, Hokkaido University1,Department of Chemistry, Faculty of Science, Hokkaido University2,Elements Strategy Initiative for Catalysts and Batteries (ESICB), Kyoto University3)*Masanori Ebina1,Takeshi Iwasa2,3,Tetsuya Taketsugu2,3
9:36-9:54 4F03Singlet Fission Couplings Calculated with Complete-Active-Space Self-consistent Field (CASSCF) Theory
(Center for Computational Sciences, University of Tsukuba)*Hirotaka Kitoh-Nishioka,Ryuma Sato,Yasuteru Shigeta
9:54-10:12 4F04Theoretical Study on Conductivity of Ir(CO)3Cl
(Molecular Device, Kyushu Univ.1,Chem., Cornell Univ.2,Chem., Univ. of Utah3)*Yuta Tsuji1,Roald Hoffmann2,Joel Miller3
10:12-10:30 4F05Diversity of the low-density ice polymorphs
(Graduate School of Natural Science, Okayama Univ.1,RIIS, Okayama Univ.2)*Takahiro Matsui1,Masanori Hirata1,Takuma Yagasaki2,Hideki Tanaka2,Masakazu Matsumoto2
10:30-10:40
Break
10:40-10:58 4F06Theoretical study on power conversion efficiency of organic photocell
(RIKEN-AICS)*Tomomi Shimazaki,Takahito Nakajima
10:58-11:16 4F07Mechanism of the variation in the activation energy of H + CO by water molecules
(Graduate School of Engineering, Yokohama National Univ.)*Kazuaki Kuwahata,Kaoru Ohno
11:16-11:34 4F08DNA strand breaks at a molecular level: Approach by dynamical analysis
(Graduate School of Science, Tohoku Univ.)*Keita Oikawa,Tomohiko Okada,Naoki Hishinuma,Kota Hanasaki,Manabu Kanno,Hirohiko Kono
11:34-11:52 4F09Free energy analysis of lipid membrane fusion
(Graduate School of Engineering, Nagoya Univ.)*Wataru Shinoda
11:52-12:10 4F10CO2 and C2H2 adsorptions in flexible metal-organic framework: Combination of periodic boundary calculation with post-Hartree-Fock correction
(FIFC, Kyoto Univ.1,KUIAS-iCeMS, Kyoto Univ.2,Dept. App. Chem., Nagoya Univ.3)*Jia-jia Zheng1,2,Shinpei Kusaka2,Ryotaro Matsuda2,3,Susumu Kitagawa2,Shigeyoshi Sakaki1

Monday Afternoon Sessions(September 18, starting at 14:50)

Venue A   [Gas phase]

14:50-15:08 4A11Quantitative investigation on the temperature dependence of the microscopic hydration structure of the phenol cation
(Kitasato Univ.1,Kitasato Univ.2)Itaru Kurusu1,Reona Yagi1,Ryota Kato1,Yasutoshi Kasahara2,*Haruki Ishikawa2
15:08-15:26 4A12Behavior of the shared proton observed in the electronic transition of hydrogen-bonded phenol cluster cations
(Kitasato Univ.1,Kitasato Univ.2)*Ryota Kato1,Yasutoshi Kasahara2,Haruki Ishikawa2
15:26-15:44 4A13Infrared spectroscopic study on the acidic enhancement of the CH bond in the ionized diols
(Graduate School of Science, Tohoku University)*Ayumu Matsuura,Yoshiyuki Matsuda,Takahiro Kamiyama,Asuka Fujii
15:44-16:02 4A14Spectroscopic observation of two-center three- electron bonded (hemi-bonded) structures of (H2S)n+clusters in the gas phase
(Department of chemistry, Graduate school of science, Tohoku University)*Dandan Wang,Asuka Fujii
16:02-16:20 4A15Competition between hydrogen bonds and van der Waals interactions in intermolecular structure formation of H+(alcohol)n clusters
(Graduate School of Science, Tohoku Univ.1,Institute of Atomic and Molecular Sciences, Taiwan2)*Natsuko Sugawara1,Asuka Fujii1,Hsu Po-jen2,Kuo Jer-lai2

Venue B  [Clusters/particles/nanostructures]

14:50-15:08 4B11Diameter and dispersibility controls of Cu nanoparticles by microscopic aggregation of clay
(Chuo Univ.1,Graduate School of Sci. Eng., Chuo Univ.2)*Masaya Miyagawa1,Akane Shibusawa2,Kengo Nishio1,Hideki Tanaka1
15:08-15:26 4B12Synthesis of metal-substituted epsilon-iron oxide nanoparticles using beta-FeO(OH) nanoparticles as a starting material
(Department of Chemistry, Graduate School of Science, The University of Tokyo)*Seiya Tsukamoto,Asuka Namai,Marie Yoshikiyo,Shin-ichi Ohkoshi
15:26-15:44 4B13Synthesis of multimetal-substituted epsilon-iron oxide nanoparticles and observation of zero-field ferromagnetic resonance using terahertz time-domain spectroscopy
(Department of Chemistry, Graduate School of Science, The University of Tokyo)*Rina Kinugawa,Asuka Namai,Shin-ichi Ohkoshi
15:44-16:02 4B14Study on synthesis method of Ti - Co substituted epsilon-iron oxide nano particles with millimeter wave absorption property above 100 GHz
(Depertment of Chemistry, Graduate school of science, The university of Tokyo)*Koreyoshi Ogata,Asuka Namai,Shin-ichi Ohkoshi
16:02-16:20 4B15Millimeter wave rotation property due to natural resonance on Al substituted ε-iron oxide
(School of Science, The University of Tokyo)*Asuka Namai,Marie Yoshikiyo,Shin-ichi Ohkoshi
16:30-16:48 4B16Formation of hydrogenated amorphous carbon by femtosecond laser filamentation in gaseous ethylene
(Graduate School of Science, Nagoya Univ.1,RCMS, Nagoya Univ.2)*Akitaka Matsuda1,Takahiro Hayashi1,Akiyoshi Hishikawa1,2
16:48-17:06 4B17Low energy electron productions from ground-state ions in Ne-Kr clusters
(IMRAM, Tohoku Univ.1,RSC2,Kyoto Univ.3,AIST4,Goethe Univ.5,IOM6,IPP7,Heidelberg Univ.8)*Daehyun You1,2,Hironobu Fukuzawa1,2,Yuta Sakakibara1,2,Tsukasa Takanashi1,2,Yuta Ito1,2,Gianluigi Maliyar1,2,Koji Motomura1,2,Kiyonobu Nagaya2,3,Toshiyuki Nishiyama2,3,Kazuki Asa2,3,Yuhiro Sato2,3,Norio Saito2,4,Masaki Oura2,Markus Schoeffer2,5,Gregor Kastirke5,Uwe Hergenhahn6,7,Vasili Stumpf8,Kirill Gohkberg8,Alexander Kuleff8,Lorenz Cederbaum8,Kiyoshi Ueda1,2

Venue C  [Solid phase]

14:50-15:08 4C11Fluorescence enhancement of TCNQ in nonpolar solvents
(Muroran Tech.)*Honami Tamaya,Hideyuki Nakano,Tosifumi Iimori
15:08-15:26 4C12Fluorescence via higher triplet states in bisanthracene and its molecular design
(Graduate School of Engineering, Kyoto Univ.1,ESICB, Kyoto Univ2,Faculty of Engineering, Kyoto Univ.3,Department of Organic Device Engineering, Yamagata Univ.4,PRESTO, JST5)*Tohru Sato1,2,Rika Hayashi3,Naoki Haruta1,Yong-jin Pu4,5
15:26-15:44 4C13Development of transparent emissive film based on Nafion and control of emission color by proton
(Faculty of Science, Tokyo Univ. of Sci.)*Hajime Kamebuchi,Taiho Yoshioka,Makoto Tadokoro
15:44-16:02 4C14Observation of an isotope effects in ZnO irradiated with deuterium molecular ion irradiation at low temperature
(Graduate School of Science, Kyoto Univ.1,Graduate School of Engineering, Kyushu Univ.2)*Ryo Nakayama1,Naoya Suzuki1,Mitsuhiko Maesato1,Makoto Arita2,Hiroshi Kitagawa1
16:02-16:20 4C15Channels of nuclear-spin relaxation in D2O trapped by rare-gas solids
(Department of Physics, Gakushuin Univ.)*Koichiro Yamakawa,Ichiro Arakawa

Venue F  [Theory/Calculation]

14:50-15:08 4F11Fully general time-dependent multiconfiguration self-consistent-field method for the electron-nuclear dynamics
(School of Engineering, UTokyo)*Ryoji Anzaki,Takeshi Sato,Kenichi Ishikawa
15:08-15:26 4F12Non-adiabatic four-body calculation of hydrogen-antihydrogen molecule
(Department of Chemistry, Tohoku Univ.1,RIKEN2,Warszawa Univ.3,Uppsala Univ.4)*Takuma Yamashita1,Yasushi Kino1,Emiko Hiyama2,Konrad Piszczatowski3,Piotr Floerich4
15:26-15:44 4F13Laser induction of unidirectional pi-electron rotations in low-symmetry aromatic ring molecules
(Ton Duc Thang University1,National Chiao-Tung University, Department of Applied Chemistry2,Dongguk University3,National Chiao-Tung University, Institute of Physics4)Hirobumi Mineo1,Masahiro Yamaki2,Gap-sue Kim3,Yoshiaki Teranishi4,Sheng hsien Lin2,*Yuichi Fujimura2