研究领域

Physical Chemistry

Study on cooperative effect on hydrogen-bonded chains in molecular crystals keyword : cooperative effect, hydrogen bond, crystal 2011.03～2014.03. proton relay in infinite one-dimensional hydrogen-bonded wire keyword : proton relay 2010.04～2012.05. Multiple-proton transfer reactions in molecular clusters keyword : proton transfer, laser spectroscopy, molecular cluster 2009.10～2012.10. This subject aims to observe specific photoiomerization and intermolecular interactions in crystals and clarify these phenomena with spectroscopic methods and quantum chemistry calculations. Quantum effects in the hydrogen-bonds and proton transfer are investigated by preparing biomolecules and molecular clusters in the isolated conditions. Laser spectroscopy and qunatum mechanical calulations are used to investigate the molecular structures and potential energy surfaces. We apply very high-resolution Zero-Kinetic-Energy (ZEKE) photoelectron spectroscopy for the investigation of the geometry,intermolecular interaction, and the mechanisms of excitation processes in molecular ion and clusterions. Photochromic reaction dyanmics of salicylidene anilines and diarylethene derivatives have been studied with laser spectroscopic methods in the frequency domain and time domain involving picosecond to femtosecond. The structures and intermolecular interactions in jet-cooled molecular clusters are investigated with infared and electronic absorption spectroscopy to clarify the effects of weak interactions on the stable structures and molecular recoginition.

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Takamasa Ikeda, Kenji Sakota, Yukio Kawashima, Yuiga Shimazaki, Hiroshi Sekiya,Photoionization-Induced Water Migration in the Hydrated trans-Formanilide Cluster Cation Revealed by Gas-Phase Spectroscopy and Ab Initio Molecular Dynamics Simulation,JOURNAL OF PHYSICAL CHEMISTRY A,Vol.116,No.15,pp.3816-3823,2012.04. Kohei Tanabe, Mitsuhiko Miyazaki, Matthias Schmies, Alexander Patzer, Markus Schutz, Hiroshi Sekiya, Makoto Sakai, Otto Dopfer, Masaaki Fujii,Watching Water Migration around a Peptide Bond,Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim,Vol.51,No.27,2012.07. Yuko Nagai, Kenichiro Saita, Kenji Sakota, Shinkoh Nanbu, Masahiko Sekiya, Munetaka Nakata, Hiroshi Sekiya,Electronic Spectra of Two Long-Lived Photoproducts: Double-Proton Transfer in 7-Hydroxyquinoline Dimer in a 2-Methyltetrahydrofuran Glass Matrix ,The Journal of Physical Chemistry A,Vol.114,No.15,pp.5041-5948,2010.04. X. Zhang, Y. Komoto, K. Sakota, M. Nakagaki, H. Nakano, T. Shimyuzu, H. Sekiya,Heavy mass effect on excited-state double-proton transfer in the 7-azaindole dimer induced by Cl substitution,Chemical Physics Letters,Vol. 441, 176-180 ,2007.07. K. Sakota, N. Inoue, Y. Komoto, H. Sekiya,Cooperative triple-proton/hydrogen atom relay in 7-azaindole(CH3OH)2 in the gas phase: Remarkable change in the reaction mechanism from vibrational-mode specific to statistical fashion with increasing internal energy,The Journal of Physical Chemistry A,Vol. 111, pp. 4596 -4603,2007.05. Sakota K, Okabe C, Nishi N, Sekiya H,Excited-state double-proton transfer in the 7-azaindole dimer in the gas phase. 3. Reaction mechanism studied by picosecond time-resolved REMPI spectroscopy,JOURNAL OF PHYSICAL CHEMISTRY A,Vol.109,No.24,109 (24): 5245-5247,2005.06. Hara A, Sakota K, Nakagaki M, Sekiya H,Dispersed fluorescence spectra of jet-cooled 7-azaindole-(H2O)(n) (n=1-3): Does photoinduced excited-state proton transfer occur or not?,CHEMICAL PHYSICS LETTERS,Vol.407,No.1-3,407 (1-3): 30-34,2005.05. Sakota K, Sekiya H,Excited-state double-proton transfer in the 7-azaindole dimer in the gas phase. 2. Cooperative nature of double-proton transfer revealed by H/D kinetic isotopic effects,JOURNAL OF PHYSICAL CHEMISTRY A,Vol.109,No.12,109 (12): 2722-2727,2005.03. Sakota K, Sekiya H,Excited-state double-proton transfer in the 7-azaindole dimer in the gas phase. 1. Evidence of complete localization in the lowest excited electronic state of asymmetric isotopomers,JOURNAL OF PHYSICAL CHEMISTRY A,Vol.109,No.12,109 (12): 2718-2721,2005.03. Sekiya H, Sakota K,Vibrational state-selected excited-state double-proton transfer in the 7-azaindole dimers.,ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY,Vol.229,229: U732-U732 199-PHYS Part 2,2005.03. Okabe C, Nakabayashi T, Inokuchi Y, Nishi N, Sekiya H,Ultrafast excited-state dynamics in photochromic N-salicylideneaniline studied by femtosecond time-resolved REMPI spectroscopy,JOURNAL OF CHEMICAL PHYSICS,Vol.121,No.19,121 (19): 9436-9442,2004.11. Sakota K, Hara A, Sekiya H,Excited-state double-proton transfer dynamics of deuterated 7-azaindole dimers in a free jet studied by hole-burning spectroscopy,Physical Chemistry and Chemical Physics,Vol.6,No.1,6(1):32-36,2004.01. Mori H, Sekiya H, Miyoshi E, Mogi K, Sakai Y,Effects of intermolecular interaction on proton tunneling: Theoretical study on two-dimensional potential energy surfaces for 9-hydroxyphenalenone-CO2/H2O complexes,The Journal of Chemical Physics,Vol.119,No.8,119 (8): 4159-4165,2003.08. Nishi K, Sekiya H, Mochida T, Sugawara, Nishimura Y,Coupling between the internal rotation of the methyl group and proton/deuteron transfer in jet-cooled 5-methyl-9-hydroxyphenalenone(OH) and 5-methyl-9-hydroxyphenalenone(OD): Tunneling rate dependence of coupling potential,The Journal of Chemical Physics,Vol.112,No.11,112 (11): 5002-5011,2000.03. Nishi K, Sekiya H, Kawakami H, Mori A, Nishimura Y,Tunneling in jet-cooled 5-methyltropolone and 5-methyltropolone-OD. Coupling between internal rotation of methyl group and proton transfer,JOURNAL OF CHEMICAL PHYSICS,Vol.111,No.9,111 (9): 3961-3969,1999.09. Nishi K, Sekiya H, Hamabe H, Nishimura Y, Mochida T, Sugawara T,Fluorescence excitation spectra of jet-cooled 9-hydroxyphenalenone derivatives. Effects of symmetrical substitution on deuterium atom tunneling,CHEMICAL PHYSICS LETTERS,Vol.257,No.5-6,257 (5-6): 499-506,1996.08. SEKIYA H, NAKANO N, NISHI K, HAMABE H, SAWADA T, TASHIRO M, NISHIMURA Y,ELECTRONIC-SPECTRUM OF JET-COOLED 9-HYDROXYPHENALENONE-D - VIBRATIONAL-MODE SPECIFIC PROTON TUNNELING IN THE S-0 STATE,CHEMISTRY LETTERS,No.10,(10): 893-894,1995.10. SEKIYA H, HAMABE H, UJITA H, NAKANO N, NISHIMURA Y,ELECTRONIC-SPECTRA OF JET-COOLED TROPOLONE-M(N)(N=1,2) CLUSTERS - MICROSCOPIC SOLVENT EFFECTS ON PROTON TUNNELING IN THE S-1 STATE,JOURNAL OF CHEMICAL PHYSICS,Vol.103,No.10,103 (10): 3895-3906,1995.09. SEKIYA H, TSUJI T, ITO S, MORI A, TAKESHITA H, NISHIMURA Y,TUNNELING SPLITTINGS IN THE S-1 ELECTRONIC STATES OF SYMMETRICALLY SUBSTITUTED 3,7-DICHLOROTROPOLONE, 3,5,7-TRICHLOROTROPOLONE, AND 3,7-DIBROMOTROPOLONE,JOURNAL OF CHEMICAL PHYSICS,Vol.101,No.5,101 (5): 3464-3471,1994.09. SEKIYA H, HAMABE H, NAKAJIMA T, MORI A, TAKESHITA H, NISHIMURA Y,THE EFFECT OF INTERMOLECULAR INTERACTIONS ON PROTON TUNNELING IN THE TROPOLONE-(CH4)1 AND 5-CHLOROTROPOLONE-(CH4)1 VAN-DER-WAALS COMPLEXES,CHEMICAL PHYSICS LETTERS,Vol.224,No.5-6,224 (5-6): 563-568,1994.07.