1995 Fiscal Year Annual Research Report

分子クラスターの反応動力学

Research Project

Project/Area Number	07240101
Research Institution	Tohoku University
Principal Investigator	三上直彦東北大学, 理学研究科, 教授 (70004447)
Co-Investigator(Kenkyū-buntansha)	山下晃一東京大学, 工学系研究科, 助教授 (40175659) 吉良満夫東北大学, 理学研究科, 教授 (40004452) 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)
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	開発した新しい装置や分光法を用いて、クラスター構造解析、反応ダイナミクス解析を展開した。三上は、赤外-紫外2重共鳴分光法を用いて、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、フェノール水和クラスターのOH振動スペクトル解析から水素結合構造を解明した。遠藤は、ミリ波領域の光源を利用したフーリエ変換分光法あるいは紫外レーザーと結合した高分解能二重共鳴分光法を用いて、ファンデルワールスクラスターの分光解析を行いそれらの構造を研究し、特に、NaCl-H_2O、Ar-SH、H_2O-OHなどの精密構造を決定した。土屋は、クラスター構造解析のための新しい分光法の開発を継続するとともに、特に、対象とするHg-N2錯体に関する量子化学計算を行って、電子基底状態および2、3の励起状態のポテンシャルを求めた。本間は、エチレンと遷移金属原子クラスターを生成して、レーザ励起による反応性の高い励起電子状態からの反応生成を調べた。特に、Co,Niなどの3d軌道の占有数が大きい金属原子の種々の電子配置の励起状態の反応速度を測定した。吉良は、ケイ素化合物の分子内フッ化物イオン供与-受容体系を合成し、そのフッ化物イオン移動反応を^<13>CNMRを用いて研究した。その結果、シクロファン型の遷移状態を経由する新しい分子間フッ化物イオン移動反応機構を提唱した。山下は、(SH_2+O_2)クラスター系のポテンシャル面の決定と、SH_2の光解離で生成したH原子とO_2の反応について、生成物の振動回転状態を古典軌跡法による解析を行い、遷移状態領域に存在する共鳴散乱状態のダイナミクスの波束計算を行った。

Research Products

(25 results)

All Other

All Publications (25 results)

[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)
[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)
[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)
[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)
[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)
[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)
[Publications] Shin Sato: "Size Dependence of IntraclusterProton Transfer of Phenol-(H_2O)_n(n=1-4)Cations" J.Phys.Chem.(in press). (1996)
[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)
[Publications] C.Leforestier: "Transition State Resonances by Complex Scaling: A Three Dimensional Study of ClHCl" J.Chem.Phys.103. 8468-8476 (1995)
[Publications] M.Stumpf: "The Unimolecular Dissociations of HCO,HNO and HO_2: From Regular to Irregular Dynamics" Faraday Discuss.Chem.Soc.(in press). (1996)
[Publications] H.Shiina: "Kinetics Studies on the Pyrolysis of H_2S" J.Phys.Chem.(in press). (1996)
[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)
[Publications] K.Honma: "The Importance of Electron Transfer Mechanism in Reaction of Neutral Transition Metal Atoms" Laser Chem.15. 209-220 (1995)
[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)
[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)
[Publications] K.Honma: "Laser-Initiated Half Reaction Study of H+O_2→OH(ν,J)+O" J.CHem.Phys.102. 7856-7863 (1995)
[Publications] Y.Naitoh: "Vector Correlations in 193 nm Photodissociation of the ND Dimer" J.Phys.Chem.99. 13652-13658 (1995)
[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)
[Publications] M.Kira: "Stereoselective allylation of β-hydroxy-and β-amino-α,β-enones with allyltrifluorosilane/triethylamine systems" Chem.Lett. 281-282 (1995)
[Publications] M.Kira: "Synthesis and structure of hexacoordinate organosilicon compounds having tropolonate ligands" Chem.Lett. 659-660 (1995)
[Publications] M.Kira: "A New Mode of Fluoride-Ion Exchange Reactions between Tetracoordinate Silane and Pentacoordinate Fluorosilicate" Chem.Lett. 807-808 (1995)
[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)
[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)
[Publications] Y.Kasai: "Pure Potational Spectrum of F_eCO" J.CHem.Phys.103. 90-95 (1995)
[Publications] Y.Ohshima: "Fourier-transform Microwave Spectroscopy of CCN(X^2Π_<1/2>)" J.Mol.Spectrosc.172. 225-232 (1995)

1995 Fiscal Year Annual Research Report

分子クラスターの反応動力学

Principal Investigator

三上 直彦 東北大学, 理学研究科, 教授 (70004447)

Research Products

[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)

[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)

[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)

[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)

[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)

[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)

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

[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)

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

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

[Publications] H.Shiina: "Kinetics Studies on the Pyrolysis of H_2S" J.Phys.Chem.(in press). (1996)

[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)

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

[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)

[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)

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

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

[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)

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

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

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

[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)

[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)

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

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

三上直彦東北大学, 理学研究科, 教授 (70004447)