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分子クラスターの反応動力学

Research Project

Project/Area Number 07240101
Research Category

Grant-in-Aid for Scientific Research on Priority Areas

Allocation TypeSingle-year Grants
Research InstitutionTohoku University

Principal Investigator

三上 直彦  東北大学, 大学院・理学研究科, 教授 (70004447)

Co-Investigator(Kenkyū-buntansha) 岩澤 康裕  東京大学, 理学系研究科, 教授 (40018015)
山下 晃一  東京大学, 工学系研究科, 教授 (40175659)
本間 健二  姫路工業大学, 理学部, 助教授 (30150288)
土屋 荘次  日本女子大学, 理学部, 教授 (40012322)
遠藤 泰樹  東京大学, 教養学部, 助教授 (40106159)
吉良 満夫  東北大学, 理学研究科, 教授 (40004452)
Project Period (FY) 1995 – 1997
Project Status Completed (Fiscal Year 1997)
Budget Amount *help
¥90,200,000 (Direct Cost: ¥90,200,000)
Fiscal Year 1997: ¥19,800,000 (Direct Cost: ¥19,800,000)
Fiscal Year 1996: ¥38,500,000 (Direct Cost: ¥38,500,000)
Fiscal Year 1995: ¥31,900,000 (Direct Cost: ¥31,900,000)
Keywords分子クラスター / クラスター分光 / クラスター構造 / クラスター反応
Research Abstract

これまでに開発した分光法や新しい装置を用いて、クラスター構造解析、反応ダイナミクス解析を更に展開した。
三上は、サイズ選別したクラスター構造解析のための振動分光法を確立し、赤外・紫外2重共鳴分光法のみならず誘導ラマン・紫外2重共鳴分光法を駆使して、ベンゾニトリル溶媒和クラスターのOH伸縮振動およびCN伸縮振動領域の振動スペクトル観測を行い、量子化学的計算解析を併用して分子間水素結合構造を研究した。また、クラスターアニオンの分光計測を目標としたレーザー誘起光電子付着法の開発改良を行い、(CS_2)_nクラスターアニオンの近赤外〜可視領域の吸収スペクトルを測定し、光誘起による電子脱離や反応過程を解析し、(CS_2)_nクラスターでは2量体アニオン(CS_2)_2がコアであること、およびC_2S_2が生成する新奇な反応経路を見いだして、それらの競合過程を量子化学計算に基づいて検討した。
鈴木信三は、金属の配位した炭素クラスターの生成過程を光電子スペクトルの観点から考察し、生成過程によって異なる異性体が生成している証拠を見いだした。
山下は、ヘリウムクラスターの量子液体性に注目し、量子クラスターのシミュレーションに必要なモンテカルロ経路積分法を新たに開発し、モデル実験解析に適用した。
吉良は、フェニルジシランのシアノ置換体の分子内電荷移動過程がジェット冷却気体の孤立分子でも起きることを見いだし、クラスター形成による電荷移動励起状態生成の促進効果を調べた。

Report

(3 results)
  • 1997 Annual Research Report
  • 1996 Annual Research Report
  • 1995 Annual Research Report
  • Research Products

    (75 results)

All Other

All Publications (75 results)

  • [Publications] Haruki Ishikawa,: "Observation of the “Isomerization states" of HCP by stimulated emission pumping spectoroscopy:Comparison between theory and experiment," J.Chem.Phys.,. 106,. 2980-2983 (1996)

    • Related Report
      1997 Annual Research Report
  • [Publications] Takayuki Ebata,: "Structures of size selected hydrogen-bonded phenol-(H_2O)_n clusters in S_0,S_1 and ion," Int.J.Mass.Spect.Ion Proc.,. 159,. 111-124 (1996)

    • Related Report
      1997 Annual Research Report
  • [Publications] Asuka Fujii,: "Infrared Spectoroscopy of (Phenol)_n^+(n=2-4),and (Phenol-Benzene)^+ Cluster Ions," J.Phys.Chem.,. A101,. 1798-1803 (1997)

    • Related Report
      1997 Annual Research Report
  • [Publications] Toshihiko Maeyama,: "Photodetachment of small water cluster anions in the near-infrared through the visible region," Chem.Phys.Lett.,. 264,. 292-296 (1997)

    • Related Report
      1997 Annual Research Report
  • [Publications] Yuko Tajima,: "First Observation of Intramolecular Charge-Transfer Emission from Jet-Cooled (p-Cyanophenyl) pentamethyldisilane in an Isolated Molecular Condition," J.Am.Chem.Soc.,1997,. 119,. 7400-7401 (1997)

    • Related Report
      1997 Annual Research Report
  • [Publications] Asuka Fujii,: "Autoionization-Detected Infrared Spectroscopy of Molecular Ions" J.Phys.Chem.A101,. 5963-5965 (1997)

    • Related Report
      1997 Annual Research Report
  • [Publications] Haruki Ishikawa,: "Intracluster Ion-Molecule Reactions of Phenylsilane Dimer Cation Induced by Charge Resonance Excitation," J.Phys.Chem.,. A101,. 9257-9259 (1997)

    • Related Report
      1997 Annual Research Report
  • [Publications] 三上 直彦: "分子クラスターの振動分光," 分光研究,. 46巻4号. 179-187 (1997)

    • Related Report
      1997 Annual Research Report
  • [Publications] T. Macyama: "Photodctachment of small water cluster anions in the near-infrared through the visible region" Chem. Phys. Lett.264. 292-296 (1997)

    • Related Report
      1996 Annual Research Report
  • [Publications] H. Ishikawa: "Observation of the “Isomerization states" of HCP by stimulated emission pumping spectroscopy Comparison between theory and experiment" J. Chem. Phys.106. 1-4 (1997)

    • Related Report
      1996 Annual Research Report
  • [Publications] T. Ebata: "Structures of size selected hydrogen-bonded phenol-(H_2O)_n clusters in S_0, S_1 and ion" Int. J. Mass. Spect. Ion Proc.(in press). (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] A. Fujii: "Infrared Spectroscopy of (Phenol)_n^+ (n = 2-4), and (Phenol-Benzene)^+ Cluster Ions" J. Phys. Chem.(in press). (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] A. Iwasaki: "Infrared Spectroscopy of Hydrogen-Bonded Phenol-Amine Cluster in Supersonic Jets" J. Phys. Chem.100. 16053-16057 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] A. Fujii: "Infrared spectroscopy of precursor for nucleophilic substitution reactions : fluorobenzene-(CH_3OH)_n (n = 1 and 2)" Chem. Phys. Lett.256. 1-7 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] A. Mitsuzuka: "Infrared spectroscopy of OH stretching vibrations of hydrogen-bonded tropolone-(H_2O)_n (n = 1-3) and tropolone-(CH_3OH)_n (n = 1 and 2) clusters" J. Chem. Phys.105. 2618-2627 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] S. Ishikawa: "Hole-Burning and Stimulated Raman-UV Double Resonance Spectroscopies of Jet-Cooled Toluene Dimer" J. Chem. Phys.100. 10531-10535 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] T. Sawamura: "Characterization of the Hydrogen-bonded Cluster Ions. [Phenol-(H_2O)_n]^+ (n = 1-4), (Phenol)_2^+ and (Phenol-methanol)^+ as Studied by Trapped Ion Infrared Multiphoton Dissociation Spectroscopy of Their OH Stretching Vibrations" J. Phys. Chem.100. 10055-10058 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] T. Watanabe: "Size-selected Vibrational Spectra of Phenol-(H_2O)_n (n = 1-4) Clusters Observed by IR-UV Double Resonance and Stimulated Raman-UV Double Resonance Spectroscopies" J. Chem. Phys.105. 408-419 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] S. Sato: "Size Dependence of Intracluster Proton Transfer of Phenol-(H_2O)_n (n = 1-4) Cations" J. Phys. Chem.100. 4765-4769 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] T. Ebata: "OH Stretching Vibrations of Phenol-(H_2O)_1 and Phenol-(H_2O)_3 in the S_1 State" J. Phys. Chem.100. 546-550 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] Y. Kasai: "Laboratory detection of the C_5N radical by Fourier-transiform microwave spectroscopy" Astrophys. J. in press. (1997)

    • Related Report
      1996 Annual Research Report
  • [Publications] Y. Ohshima: "Rotational spectrum of the Ar-HCO^+ ionic complex" J. Chem. Phys.(in press). (1997)

    • Related Report
      1996 Annual Research Report
  • [Publications] H. Kohguchi: "Laser-induced fluorescence spectroscopy of the C^2Σ^+-X^2Π_<1/2> band system of jet-cooled CCN radical" J. Chem. Phys.(in press). (1997)

    • Related Report
      1996 Annual Research Report
  • [Publications] Y. Ohshima: "Rotational spectroscopy of jet-cooled molecular ions and ion complexes" Chem. Phys. Lett.256. 635-640 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] H. Kohguchi: "Laser-induced fluorescence spectra and observation of quantum beats in the Λ^2Π_i-Χ^2Π_i transition of the HCCS radical" Chem. Phys. Lett.101. 397-402 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] R. Matsui: "Kinetics of Co (a^4F, b^4F, a^2F) and Ni (a^3F,a^3D,a^1D) Depletion by O_2, N0, and N_2O" J. Phys. Chem.101. 179-186 (1997)

    • Related Report
      1996 Annual Research Report
  • [Publications] R. Matsui: "Kinetics of depletion of Co (b^4F) and Co (a^2F) atoms by O_2" Chem. Phys. Lett.250. 560-566 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] M. Furubayashi: "Laser Induced Fluorescence of the CH_2CFO Radical" J. Chem. Phys. in press. (1997)

    • Related Report
      1996 Annual Research Report
  • [Publications] A. Hishikawa: "Femtosecond Transition-State Dynamics of Dissociating OCS on the Excited 1Σ^+ Potential Energy Surface" J. Phys. Chem. in press. (1997)

    • Related Report
      1996 Annual Research Report
  • [Publications] K. Tsuchiya: "Studies on the Reactions of Atomic Sulfur (3p) with H_2, D_2, CH_4, C_2H_6-C_3H_8, n-C_4H_<10>, and i-C_4H_<10>" J. Phys. Chem.100. 17202-17206 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] H. Shiina: "Kinetic Studies on the Pyrolysis of H_2S" J. Phys. Chem.100. 2136-2140 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] S. C. Farantos: "Normal Mode and Isomerization Bending States in HCP. Periodic Orbit Assignment and Spectroscopic Signature" J. Chem. Phys.104. 8131-8138 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] J. Takahashi: "Ab Initio Studies on the Interstellar Molecules C_3H_2 and C_3H and the mechanism for the Neutral-Neutral Reaction C(^3P)+C_2H_2" J. Chem.Phys.104. 6613-6627 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] Y. Yuan: "Structure and Calalysis of a SiO_2 -Supported Gold-Platinum Cluster [(PPh_3) Pt (PPh_3Au)_6] (NO_3)_2" Chem. Lett.129-130 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] H. Onishi: "Dynamic Visualization of a Metal-Oxide Surface/Gas-Phase Reaction : Time-Resolved Odservation by Scanning Tunneling Microscopy at 800 K" Physical Review Letters. 76. 791-794 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] T. Inoue: "Characterization of Pt-Sn/SiO_2 catalysts and the role of Sn in NO-hydrocarbon reactions" J. Chem. Soc., Faraday Trans.92. 461-467 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] H. Onishi: "Molecularly resolved observation of anisotropic intermolecular force in a formate-ion monolayer on a TiO_2 (110) surface by scanning tunneling microscopy" J. Colloid and Surfaces, A : Physicochemical ard Engineering Aspects. 109. 335-343 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] N. Ichikuni: "Surface structures and catalytic properties of supported niobium oxides" Catalysis Today. 28. 49-58 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] H. Onishi: "Atom-resolved observation of Na ensembles activating CO_2 adsorption on a TiO_2 (110)-(1×1) surface as the genesis of basic sites" Catalysis Letters. 38. 89-94 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] W. J. Chun: "PTRF X-ray absorption fine structure as a new technique for catalyst characterization" J. Mol. Catal. A : Chemical. 107. 55-65 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] Y. Iwasawa: "Characterization and chemical design of oxide surfaces" Stub. Surf. Sci. Catal.101. 21-34 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] H. Onishi: "Temperature jump STM observation of reaction intermediate on metal-oxide surfaces" J. Phys. Chem.100. 9582-9584 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] T. Kubota: "A New method for quantitative characterization of adsorbed hydrogen on Pt particles by means of Pt L-edge XANES" Chem. Phys. Lett.256. 445-448 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] K. Kitamura: "Surface structures and catalytic hydroformylation sctivities of Rh dimers attached on various inorganic oxide supports" J. Phys. Chem.100. 13636-13645 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] Y. Yuan: "Supported gold catalysts derived from gold complexes and as-precipitated metal hydroxides, highly active for low-temperature CO oxidation" Chem. Lett.254. 755-756 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] W. -J. Chun: "Surface structure analysis of dispersed metal sites on single srystal metal oxides by means of polarization-dependent total-reflection fluoresence EXAFS" Appl. surf. Sci.100/101. 143-146 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] H. Onishi: "STM observation of surface reactions on a metal oxide" surf. Sci.357/358. 773-776 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] T. Sueyoshi: "Reactive oxygen species on unreconstructed Cu (110) ; catalytic CO oxidation by reactive oxygen species at low temperature" Surf. Sci.357/358. 764-768 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] D. I. Kondarides: "Characterization and performance of a [PtM_<06>]/MgO catalyst for alkane-to-alkane conversion" J. Mol. Catal. A : Chemical. 111. 145-165 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] K. Fukui: "CO adsorption and oxidation on Pd (110)-c(2×4)-O by reflection-absorption infrared" J. Phys. Chem.100. 18795-18801 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] Takayuki Ebata: "Evidence for the Cyclic From of Phenal Trimer: Vibrational Spectroscopy of the OH Stretching Vibrations of Jet-Cooled Phenol Dimer and Trimer" J.Phys.Chem.99. 5761-5764 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] Takayuki Ebata: "Degenerate Four-wave Mixing andTwo-color Laser Induced Grating Spectra of S_1-S_0 Electronic Transitions of Benzene and Monosubstituted Benzenes in the Gas Phase" J.Mol.Structure. 352/353. 533-540 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] Takayuki Ebata: "Predissociation of Rydberg States of CO Investigated by the Detection of the C(^3P_J) Fragment" Chem.Phys.Lett.240. 357-361 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] Akihiro Okazaki: "Degenerate Four-weve Mixing Spectroscopy of Jet-cooled SO_2 Via the C-X Transition" Chem.Phys.Lett.241. 275-280 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] Masaaki Komatsu: "Rotational Structure and Dissociation of the Rydberg States of CO Investigated by Ion-dip Spectroscopy" J.Chem.Phys.103. 2420-2435 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] Takayuki Ebata: "OH Stretching Vibrations of Phenol-(H_2O)_1 and Phenol-(H_2O)_3 in the S_1 State" J.Phys.Chem.(in press). (1996)

    • Related Report
      1995 Annual Research Report
  • [Publications] Shin Sato: "Size Dependence of IntraclusterProton Transfer of Phenol-(H_2O)_n(n=1-4)Cations" J.Phys.Chem.(in press). (1996)

    • Related Report
      1995 Annual Research Report
  • [Publications] Naohiko Mikami: "Spectroscopic Study of Intracluster Proton Transfer in Small Size Hydrogen-Bonding Clusters of Phenol" Bull.Chem.Soc.Jpn.68. 683-695 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] C.Leforestier: "Transition State Resonances by Complex Scaling: A Three Dimensional Study of ClHCl" J.Chem.Phys.103. 8468-8476 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] M.Stumpf: "The Unimolecular Dissociations of HCO,HNO and HO_2: From Regular to Irregular Dynamics" Faraday Discuss.Chem.Soc.(in press). (1996)

    • Related Report
      1995 Annual Research Report
  • [Publications] H.Shiina: "Kinetics Studies on the Pyrolysis of H_2S" J.Phys.Chem.(in press). (1996)

    • Related Report
      1995 Annual Research Report
  • [Publications] J.Takahashi: "Ab Initio Studies on the Interstellar Molecules C_3H_2 and C_3H and the Mechanism for the Neutral-Neutral Reaction C(^3P)+C_3H_2" J.Chem.Phys.(in press). (1996)

    • Related Report
      1995 Annual Research Report
  • [Publications] K.Honma: "The Importance of Electron Transfer Mechanism in Reaction of Neutral Transition Metal Atoms" Laser Chem.15. 209-220 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] T.Ibuki: "Radiative Dissociation of Superexcited C_2H_2,C_2HD,and C_2D_2 at 50-90 nm Region" J.Chem.Phys.102. 5301-5308 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] K.Honma: "Kinetics of Depletion of Electronically Excited Ti Atoms by CH_4,C_2H_2,C_2H_4 and C_2H_6" J.Chinese CHem.Soc.42. 371-379 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] K.Honma: "Laser-Initiated Half Reaction Study of H+O_2→OH(ν,J)+O" J.CHem.Phys.102. 7856-7863 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] Y.Naitoh: "Vector Correlations in 193 nm Photodissociation of the ND Dimer" J.Phys.Chem.99. 13652-13658 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] K.Senba: "Kinetics of Ti(a^3F,a^5F) and V(a^4F,a^6D) Depletion by Simple Hydrocarbons" J.Phys.Chem.99. 13992-13999 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] M.Kira: "Stereoselective allylation of β-hydroxy-and β-amino-α,β-enones with allyltrifluorosilane/triethylamine systems" Chem.Lett. 281-282 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] M.Kira: "Synthesis and structure of hexacoordinate organosilicon compounds having tropolonate ligands" Chem.Lett. 659-660 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] M.Kira: "A New Mode of Fluoride-Ion Exchange Reactions between Tetracoordinate Silane and Pentacoordinate Fluorosilicate" Chem.Lett. 807-808 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] Y.Ohshima: "Fourier-transform Microwave Spectroscopy of Triplet Carbon Monoxides,C_2O,C_4O,C_6O,and C_8O" J.CHem.Phys.102. 1493-1500 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] T.Ogata: "Rotational Spectra and Structures of Carbon Monoxides,C_5O,C_7O,and C_9O" J.Am.Chem.Soc.117. 3593-3598 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] Y.Kasai: "Pure Potational Spectrum of F_eCO" J.CHem.Phys.103. 90-95 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] Y.Ohshima: "Fourier-transform Microwave Spectroscopy of CCN(X^2Π_<1/2>)" J.Mol.Spectrosc.172. 225-232 (1995)

    • Related Report
      1995 Annual Research Report

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Published: 1995-04-01   Modified: 2016-04-21  

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