Bldg. 1 131
[Physical Chemistry -Structure-]
Saturday, March 16, AM
Magnetic Resonance
Chair: MORISAWA, Yusuke
(09:10-10:10)
* 9:00-9:10: interval for laptop PC connection.(1A3-02, 1A3-03, 1A3-04, 1A3-05, 1A3-06, 1A3-07)
1A3-02
An electronic structure of a nitroxide diradical with a ferrocen-1,1’-diyl-substituted 1,3-diazetidine-2,4-diimine coupler as studied by multi-frequency ESR spectroscopy (Grad. Sch. Sci., Osaka City Univ.) º TANAKA, Koudai; MATSUOKA, Hideto; SUGISAKI, Kenji; BAGRYANSKAYA, Irina; GURSKAYA, Larisa; TRETYAKOV, Evgeny; TAKUI, Takeji; SATO, Kazunobu
1A3-03
High resolution solid-state NMR under high pressure gas atmosphere (Grad. Sch. Tech. Ind. Soc. Sci., Tokushima Univ.) º INUKAI, Munehiro; KURIHARA, Takuya; NODA, Yasuto; KIKKAWA, Akira; NAKAMURA, Koichi
1A3-04
Molecular spin manipulation by pulsed ESR technique with arbitrary waveform pulse (Grad. Sch. Sci., Osaka City Univ.; International Tomography Center) º SATO, Kazunobu; HIRAO, Rei; YAMAMOTO, Satoru; IVANOV, Konstantin; TAKUI, Takeji
1A3-05
Molecular Orientation and Dynamics of Large TEMPO Derivatives in CLPOT Nanochannels (Dep. Arts and Sci., Showa Univ.) º KOBAYASHI, Hirokazu
1A3-06
Comparison of tetramethylbenzobisdioxole derivatives on triplet state via photo-excitation or electrolytic redox reaction (KIT) º MIYAKE, Yusuke; HIROSE, Naoto; FAN, Xinyu; KANAORI, Kenji; TAJIMA, Kunihiko
1A3-07
First Principles Calculation on Zero-Field-Splitting of O2-Encapsulated Fullerene Type Molecules (Sch. Mater. & Chem. Tech., Tokyo Tech.) º YAMADA, Shusuke; FUTAGOISHI, Tsukasa; MURATA, Yasujiro; TADA, Tomofumi
Electronic Spectroscopy, Electron Spectroscopy, Electronic States
Chair: KOBAYASHI, Hirokazu
(10:20-11:20)
* 10:10-10:20: interval for laptop PC connection.(1A3-09, 1A3-10, 1A3-12, 1A3-13, 1A3-14)
1A3-09
Spectroscopic investigations for long-chain alcohol (Fac. Sci. Eng., Kindai Univ.) º MORISAWA, Yusuke; KOBAYASHI, Misa
1A3-10*#
Changes in electronic states of PEG in PEG-Alkaly metal complex by kinds of anions (Grad. Sch. Sci. Eng., Kindai Univ.) º UENO, Nami; MORISAWA, Yusuke; WAKABAYASHI, Tomonori; SATO, Harumi
1A3-12
Determination of pH Dependent Structure of Thymol Blue (Fac. Edu., Hirosaki Univ.) º SHIMADA, Toru; TOCHINAI, Kurumi; HASEGAWA, Takeshi
1A3-13
Theoretical study on relationship between open-shell character and nonlinear optical properties of carbazole oligomers in the neutral and electron oxidation states (Sch. Eng. Sci., Osaka Univ.) º OKADA, Saki; KISHI, Ryohei; NAKANO, Masayoshi
1A3-14
Two-photon absorption spectra of chlorodiphenylacetylenes by optical-probing photoacoustic spectroscopy (Coll. Sci. Eng., Aoyama Gakuin Univ.) º ISHII, Tetsurou; ANDO, Saki; ISOZAKI, Tasuku; KASHIHARA, Wataru; SUZUKI, Tadashi
Chair: SHIMADA, Toru
(11:30-12:30)
* 11:20-11:30: interval for laptop PC connection.(1A3-16, 1A3-17, 1A3-19, 1A3-20, 1A3-21)
1A3-16
Theoretical study on the conformational dependence of open-shell characters, charge asymmetry and nonlinear optical properties of asymmetric bianthrone derivatives (Grad. Sch. Eng. Sci., Osaka Univ.) º KITANO, Shoma; KISHI, Ryohei; HIRAO, Yasukazu; KUBO, Takashi; NAKANO, Masayoshi
1A3-17*#
Photoionization of excited states of rare gas atoms prepared by electron impact excitation (Grad. Sch. Sci., The Univ. of Tokyo) º HIROI, Takashi; MORIMOTO, Yuya; KANYA, Reika; YAMANOUCHI, Kaoru
1A3-19#
Sub-micron focusing of soft x-ray high-order harmonics for time-resolved measurements of two-photon double ionization processes (Grad. Sch. Sci., The Univ. of Tokyo) º MOTOYAMA, Hiroto; IWASAKI, Atsushi; SATO, Takahiro; TAKEI, Yoshinori; KUME, Takehiro; EGAWA, Satoru; MIMURA, Hidekazu; YAMANOUCHI, Kaoru
1A3-20
Surface electronic structure of Fe2P(0001) (Grad. Sch. Sci., Rikkyo Univ.) º YOSHIDA, Tomoya; SUGIZAKI, Yuichi; SHIMATO, Yuki; MAEJIMA, Naoyuki; EDAMOTO, Kazuyuki
1A3-21
Effect of P segregation on the surface electronic structure of Fe2P(10-10) (Grad. Sch. Sci., Rikkyo Univ.) º SHIMATO, Yuki; SUGIZAKI, Yuichi; YOSHIDA, Tomoya; MAEJIMA, Naoyuki; EDAMOTO, Kazuyuki
Saturday, March 16, PM
Surface and Interface
Chair: SASAHARA, Akira
(13:40-14:40)
* 13:30-13:40: interval for laptop PC connection.(1A3-29, 1A3-32, 1A3-34)
1A3-29 Young Scholar Lectures of CSJ#
In-situ Spectroscopic Observation of Electrochemical Reactions Triggered by Interfacial Restructuring in Ionic Liquids (Grad. Sch. Eng., Nagoya Inst. of Tech.) º MOTOBAYASHI, Kenta
1A3-32*#
Ion species dependence of hysteresis behavior at the interfaces of Pt electrode and ionic liquids (Sch. Mater. & Chem. Tech., Tokyo Tech.) º IWAHASHI, Takashi; ZHOU, Sei; KIM, Doseok; OUCHI, Yukio
1A3-34
Analysis of local structure and dynamics of interfacial ionic liquid close to the edge of graphite by molecular dynamics calculation (Grad. Sch. Eng. Sci., Osaka Univ.) º YONEKAWA, Masaki; TANABE, Ichiro; FUKUI, Ken-ichi; MORIKAWA, Yoshitada; INAGAKI, Kouji
Chair: WATANABE, Kazuya
(14:50-16:00)
* 14:40-14:50: interval for laptop PC connection.(1A3-36, 1A3-37, 1A3-38, 1A3-39, 1A3-41)
1A3-36
Structure and dynamics of ionic liquid facing to the charged organic semiconductors analyzed by MD simulation (Grad. Sch. Eng. Sci., Osaka Univ.) º SATO, Taiki; MIYAMOTO, Hiroo; TANABE, Ichiro; INAGAKI, Kouji; MORIKAWA, Yoshitada; FUKUI, Ken-ichi
1A3-37
Frequency Modulation AFM Analysis of Fe2O3(0001) Surfaces in Solvents (Grad. Sch. Sci., Kobe Univ.) º SASAHARA, Akira; MORIGUCHI, Shiho; KOKAWA, Ryohei; TSUJIMOTO, Teppei; ONISHI, Hiroshi
1A3-38
Diffusion of Mg2+ ion in ionic liquid thin films studied by depth analysis using X-ray photoelectron spectroscopy (Grad. Sch. Eng. Sci., Osaka Univ.) º KATAYAMA, Chiaki; TAKAHASHI, Akihiro; TANABE, Ichiro; IMANISHI, Akihito; FUKUI, Ken-ichi
1A3-39*#
Heterogeneity at Amorphous Silica/Water Interface: Molecular Dynamics Simulations of Sum Frequency Generation Spectroscopy (Coll. Eng., Ibaraki Univ.) º JOUTSUKA, Tatsuya; MORITA, Akihiro
1A3-41*#
Surface segregation of P on Fe2P(0001) by annealing process with valence band electronic structure changes (Coll. Sci., Rikkyo Univ.) º MAEJIMA, Naoyuki; SHIMATO, Yuki; SUGIZAKI, Yuichi; YOSHIDA, Tomoya; EDAMOTO, Kazuyuki
Chair: IWAHASHI, Takashi
(16:10-17:10)
* 16:00-16:10: interval for laptop PC connection.(1A3-44, 1A3-45, 1A3-46, 1A3-48, 1A3-49)
1A3-44#
Mechanism of Water Bending Bands at the Charged Interfaces Observed by Heterodyne-Detected Sum Frequency Generation: Quadrupole Contribution (Molecular Spectroscopy Lab., RIKEN) º MOHAMMED, Ahmed; NIHONYANAGI, Satoshi; TAHARA, Tahei
1A3-45#
Vibrational relaxation dynamics of OH stretch of water at air/H2O interface investigated by time-resolved heterodyne-detected vibrational sum-frequency generation spectroscopy (Molecular Spectroscopy Lab., RIKEN; RIKEN RAP) º SUNG, Woongmo; INOUE, Ken-ichi; NIHONYANAGI, Satoshi; TAHARA, Tahei
1A3-46*
Thickness dependence of ice surface structure grown on Rh(111) (Dep. Chem., Sch. Sci., Kyoto Univ.; Center for Mesoscopic Sci., IMS; PRESTO, JST; The Toyota Physical and Chemical Research Institute) OTSUKI, Yuji; º WATANABE, Kazuya; SUGIMOTO, Toshiki; MATSUMOTO, Yoshiyasu
1A3-48
Amorphous ice surfaces observed with heterodyne-detected sum frequency generation spectroscopy (Grad. Sch. Sci., Eng., Saitama Univ.; AMCP, NIMS) º YAMAMOTO, Kouta; NOJIMA, Yuki; SUZUKI, Yoshiharu; YAMAGUCHI, Shoichi
1A3-49
Total reflection high energy positron diffraction study of the structure of the VO film on Ag(100) (Grad. Sch. Sci., Rikkyo Univ.) º SUGIMOTO, Riki; SUGIZAKI, Yuichi; EDAMOTO, Kazuyuki; MAEJIMA, Naoyuki; MOCHIZUKI, Izumi
Sunday, March 17, PM
Gas Phase Spectroscopy
Chair: HIROTA, Eizi
(13:00-14:00)
* 12:50-13:00: interval for laptop PC connection.(2A3-25, 2A3-26, 2A3-28, 2A3-30)
2A3-25
Laser spectroscopic study on jet-cooled 7, 7, 8, 8-tetracyanoquinodimethane (TCNQ) (Grad. Sch. Sci., Hiroshima Univ.) º CHAKI, Nobumasa; IIDA, Yuji; KENJO, Seiya; MURAMATSU, Satoru; INOKUCHI, Yoshiya; IIMORI, Toshifumi; EBATA, Takayuki
2A3-26*#
Rotationally-resolved high-reaolution laser spectroscopy of S1-S0 transition of fluorene: Perturbation in the S1 state (MPRC, Kobe Univ.) º KASAHARA, Shunji; KURODA, Shinji
2A3-28*
Jet spectroscopy of metal containing free radicals (Grad. Sch. Info. Sci., Hiroshima City Univ.) º FUKUSHIMA, Masaru; ISHIWATA, Takashi
2A3-30
Two-dimensional correlation IR spectroscopy of acetylene large clusters (Fac. Sci., Shizuoka Univ.) RYO, Suzuki; NOMA, Souta; º MATSUMOTO, Yoshiteru
Chair: KASAHARA, Shunji
(14:10-15:00)
* 14:00-14:10: interval for laptop PC connection.(2A3-32, 2A3-34, 2A3-35)
2A3-32*#
Local structure analysis of heme protein by resonance Raman spectroscopy in the gas phase (Fac. Sci., Gakushuin Univ.) º ASAMI, Hiroya; KAWAUCHI, Norishi; KAWABATA, Rina; KOHNO, Jun-ya
2A3-34
Gas phase CD spectroscopy of albumin ion by using IR-laser ablation of droplet beam (Fac. Sci., Gakushuin Univ.) º KITAZAKI, Akihiro; ASAMI, Hiroya; KOHNO, Jun-ya
2A3-35*#
Double-minimum potential in molecular chirality (SOKENDAI) º HIROTA, Eizi
Chair: MATSUMOTO, Yoshiteru
(15:10-16:00)
* 15:00-15:10: interval for laptop PC connection.(2A3-38, 2A3-40, 2A3-41, 2A3-42)
2A3-38*#
Collision-induced absorption of oxygen molecule as studied by highly sensitive absorption spectroscopy (Coll. Sci. Eng., Aoyama Gakuin Univ.) º KASHIHARA, Wataru; KAWAI, Akio
2A3-40#
Development of laser-induced molecular alignment and orientation simulator (LIMAO) and its application to field-free alignment of polyatomic molecules (Grad. Sch. Sci., The Univ. of Tokyo) º MAHO, Jono; TAMÁS, Szidarovszky; ATUSHI, Iwasaki; KAORU, Yamanouchi
2A3-41
Solvation-structural influence on stability of benzoxazole clusters (Fac. Sci., Fukuoka Univ.) º YAMADA, Yuji; NIBU, Yoshinori
2A3-42#
Production of cryogenic molecular ions in superfluid He droplets (RIKEN) º IGUCHI, Arisa; KUMA, Susumu; AZUMA, Toshiyuki
[International Symposium on Molecular Science - Physical Chemistry / Theoretical Chemistry, Chemoinformatics, Computational Chemistry - Cosponsored by Japan Society for Molecular Science]
Monday, March 18, AM
(09:00-09:10)
3A3-01 Opening Remarks / Closing Remarks#
Opening address (RIKEN) º Tahara, Tahei
Chair: Ohshima, Yasuhiro
(09:10-10:30)
3A3-02 Invited Lecture#
Frequecny and time-domain study on cold gas-phase functional molecules (Hiroshima Univ.) º Ebata, Takayuki
3A3-06 Asia Special Lecture#
Conformation-specific circular dichroism spectroscopy of jet-cooled molecules and clusters (Chungbuk National Univ.) º Kim, Nam Joon
Chair: Fujii, Masaaki
(10:40-12:00)
3A3-11 Asia Special Lecture#
Photoisomerization of biochromophores in the gas phase (Univ. of Melbourne) º Bieske, Evan J.
3A3-15 Invited Lecture#
Crown ether complexes studied by cold, gas-phase spectroscopy: relationship between structures and functions (Hiroshima Univ.) º Inokuchi, Yoshiya
3A3-17 Invited Lecture#
Ultrafast time-domain vibrational spectroscopy of complex molecular systems (RIKEN; PRESTO, JST) º Kuramochi, Hikaru
Monday, March 18, PM
Chair: Tachikawa, Masanori
(13:00-14:20)
3A3-25 Asia Special Lecture#
Learning vibrational coupling in protonated species from the dark states in IRPD (Academia Sinica) º Kuo, Jer-Lai
3A3-29 Invited Lecture#
Promotion of homogeneous ice nucleation by soluble molecules (Shinshu Univ.) º Mochizuki, Kenji
3A3-31 Invited Lecture#
Ab initio molecular dynamics study of hydration structure of trimethylamine N-oxide and urea (Osaka Univ.) º Ohto, Tatsuhiko
Chair: Hishikawa, Akiyoshi
(14:30-15:50)
3A3-34 Keynote Lecture#
Ultrafast radiation chemistry: Femtosecond electronic relaxation and coherent vibrational dynamics of ionized aqueous solutions (Nanyang Technological Univ.) º Loh, Zhi-Heng
3A3-38 Invited Lecture#
Probing ultrafast dynamics during and after passing through conical intersections (Kyoto Univ.) º Adachi, Shunsuke
3A3-40 Invited Lecture#
Water migration dynamics in hydrated clusters --Real-time observation by time-resolved IR spectroscopy-- (Tokyo Inst. of Technology) º Miyazaki, Mitsuhiko
Chair: Saito, Shinji
(16:00-17:20)
3A3-43 Asia Special Lecture#
Nonadiabatic Molecular Dynamics Theory and Simulations: Azobenzene Photoisomerization Mechanisms on Multi-state Potential Energy Surfaces (National Chiao Tung Univ.) º Zhu, Chaoyuan
3A3-47 Invited Lecture#
Ultrafast internal conversion cascade and subsequent photofragmentation of XUV excited caffeine molecule (Tohoku Univ.) º Yamazaki, Kaoru
3A3-49 Invited Lecture#
Exploring potential crossings: Understanding nonadiabatic decay processes (Hokkaido Univ.) º Saita, Kenichiro
(17:20-17:30)
3A3-51 Opening Remarks / Closing Remarks#
Closing remarks (Shizuoka Univ.) º Torii, Hajime
[Physical Chemistry -Structure-]
Tuesday, March 19, AM
IR/Raman Spectroscopy
Chair: SHIGETO, Shinsuke
(09:10-10:10)
* 9:00-9:10: interval for laptop PC connection.(4A3-02, 4A3-03, 4A3-04, 4A3-05, 4A3-06)
4A3-02
Infrared spectra of perfluoroalkane monolayers on water surface (ICR, Kyoto Univ.) º FUKUMI, Aki; SHIMOAKA, Takafumi; SHIOYA, Nobutaka; HASEGAWA, Takeshi
4A3-03
Solvent dependence of hydrogen bond energy of methanol-pyridine complex and absorption intensity of fundamemtal and overtone of OH stretching vibration of methanol monomer (NIT, Kumamoto College; Fac. Sci., Josai Univ.; Sch. Sci. Tech., Kwansei Gakuin Univ.) º FUTAMI, Yoshisuke; OZAKI, Yasushi; OZAKI, Yukihiro
4A3-04
Chromophore structure of a novel type of photoreceptor protein, heliorhodopsins (Sch. Sci., Osaka Univ.) º OTOMO, Akihiro; MIZUNO, Misao; SINGH, Manish; SHIHOYA, Wataru; INOUE, Keiichi; NUREKI, Osamu; BÉJÀ, Oded; KANDORI, Hideki; MIZUTANI, Yasuhisa
4A3-05
Infrared study of the Ca2+-coordination structures of EF-hand motif proteins in combination with the specific 13C-labeled synthetic peptide analogs (Tokyo Med. and Dental Univ.) º NARA, Masayuki; MORII, Hisayuki; SAKAMOTO, Akira; MIYAKAWA, Takuya; TANOKURA, Masaru
4A3-06*#
Fifth-order impulsive stimulated Raman spectroscopy for visualizing vibrational coupling in reactive excited states (Molecular Spectroscopy Lab., RIKEN) º KURAMOCHI, Hikaru; TAKEUCHI, Satoshi; KAMIKUBO, Hironari; KATAOKA, Mikio; TAHARA, Tahei
Chair: FUTAMI, Yoshisuke
(10:20-11:20)
* 10:10-10:20: interval for laptop PC connection.(4A3-09, 4A3-10, 4A3-11, 4A3-12, 4A3-13)
4A3-09
Quantitative Analysis of Thermal Conversion Reaction of Pentacene Precursor in a Thin Film Using pMAIRS-CLS Technique (ICR, Kyoto Univ.) º FUJIWARA, Ryoi; SHIOYA, Nobutaka; TOMITA, Kazutaka; SHIOAKA, Takafumi; HASEGAWA, Takeshi
4A3-10
Understanding of structure-controlling factors of a tetraphenylporphyrin thin film using the pMAIRS-GIXD technique (ICR, Kyoto Univ.) º TOMITA, Kazutaka; SHIOYA, Nobutaka; SHIMOAKA, Takafumi; HASEGAWA, Takeshi
4A3-11
Keto-Enol Tautomerism of Acetylacetone as Studied by Infrared Electroabsorption Spectroscopy (Grad. Sch. Sci. Tech., Kwansei Gakuin Univ.) º HIRAOKA, Takayuki; SHIGETO, Shinsuke
4A3-12
Complex quantitative analysis of solution mixing process in microreactor by Raman microspectroscopy (Coll. Sci. Eng., Aoyama Gakuin Univ.) º OKAJIMA, Hajime; TERADA, Tomomi; YAMADA, Shiori; SAKAMOTO, Akira
4A3-13*#
Effects of Anion Species on Temperature-Dependent Low-Frequency Spectral Features of Pyrrolidinium-Based Ionic Liquids (Grad. Sch. Adv. Integration Sci., Chiba Univ.) º KAKINUMA, Shohei; SHIROTA, Hideaki
Crystal Structure
Chair: MIZUNO, Misao
(11:30-12:10)
* 11:20-11:30: interval for laptop PC connection.(4A3-16, 4A3-18)
4A3-16*#
Sorption of Channel-type Macrocyclic Molecular Crystals with Structural Flexibility (IMRAM, Tohoku Univ.) º YUAN, Guohao; TAKEDA, Takashi; HOSHINO, Norihisa; AKUTAGAWA, Tomoyuki
4A3-18*#
Controlling Chirality of Triglycine sulfate Crystals doped with a tiny amount of Alanine (Grad. Sch. Advanced Sci. Eng., Waseda Univ.) º TERASAWA, Yukana; ISHIKAWA, Kazuhiko; ICHIKI, Masaaki; ASAHI, Toru