1991 Fiscal Year Annual Research Report

溶液の非平衡過程の分子論的アプロ-チに関する総合解析

Research Project

Project/Area Number	03231104
Research Institution	Okazaki National Research Institutes
Principal Investigator	大瀧仁志岡崎国立共同研究機構, 分子科学研究所, 教授 (80022549)
Co-Investigator(Kenkyū-buntansha)	山寺秀雄大同工業大学, 化学教室, 教授 (70022499) 斎藤一夫国際基督教大学, 理学研究科, 教授 (70004231) 舟橋重信名古屋大学, 理学部, 教授 (30022700) 中原勝京都大学, 理学部, 助教授 (20025480) 野村浩康名古屋大学, 工学部, 教授 (50023081)
Keywords	溶液の非平衡過程 / ミクロ集合体のゆらぎ / 拡散過程 / 反応活性種の構造
Research Abstract	昨年度は各班でWorkshop,Minisymposium等を積極的に開催し、班員相互の融和を諮ると共に、計画研究の主旨・目的を徹底し研究協力体制を確立することに努めた。今年度は研究を進展させ、協力研究の実を挙げるために、総括班としての行事を最小限にとどめ、実質的な討論や研究計画の遂行についての打ち合せを学会等の機会を活用して行った。計画研究、公募研究の個々の研究テ-マの進展は当然の事であるが、計画研究班員、公募研究班員の協同研究や協力研究を各班内、班を跨る規模で推進し、総括班として研究費を重点的に配分しながらプロジェクト研究としての成果が上がるように努めた。その結果、各班での協同研究や協力研究が活性化されプロジェクト研究が大いに進展した。総括班の今年度の活動は次の通りである。第1班、第2班はそれぞれWorkshop「分子集団のダイナミックス」,「反応活性種の構造」を開催し議論を深めた。第2班はMinisymposium[Diffusion and Relaxation Processes in Solutions]を開催した。このシンポジウムでは「平成3年度科学研究費補助金(重点領域研究(1))研究者招へいに伴う研究計画の一部変更承認申請書」を文部省に提出し、J.Barthel教授(レ-ゲンスブルグ大)を招へいし、講演・討論は全て英語で行い、同教授の評価・助言を受けた。このシンポジウムには何人かの外国人研究者にも参加してもらい、国際的視野の下で本重点領域研究を遂行し世界に通用する研究成果を挙げるべく努力し、世界的に注目される研究果を挙げつつあるとのコメントをBarthel教授からも得ている。この他、総括班では公開シンポジウムを開催し今年度の研究成果を中心に、重点領域研究(1)「溶液の非平衡過程の分子論的アプロ-チ」の成果を公表し、広く関係研究者と討論した。また、この様な総括班活動を進めるために必要な総括班会議、全体会議、班長会議等を適宜開催した。

Research Products

(50 results)

All Other

All Publications (50 results)

[Publications] K.Waizumi: "Structure of MgCl_2.Rbcl.6H_2O." Acta.Crystallogr.C47. 251-254 (1991)
[Publications] N.Fukushima: "Dissolution of Alkali Fluoride and Chloride Crystals in Water Studied by Molecular Dynamics Simulations." Z.Naturforsch. 46a. 193-202 (1991)
[Publications] K.Waizumi: "X‐ray Diffraction Studies on Ternary MgCl_2‐KCl‐H_2O and MgCl_2‐CsCl‐H_2O Solutions Saturated with the Corresponding Double Salts." Z.Naturforsch. 46a. 307-312 (1991)
[Publications] H.Wakita: "Structure Determination of Zinc Iodide Complexes Formed in Aqueous Solutions." J.Solution Chem.20. 643-668 (1991)
[Publications] G.Johansson: "Coordination around Thorium(IV)in Aqueous Perchlorate,Chloride and Nitrate Solutions." J.Solution Chem.20. 775-792 (1991)
[Publications] G.Johansson: "Structure of the Solvated Metal Ions in Nitrate and Chloride Solutions of Erbium(III)and Yttrium(III)in Dimethyl Sulfoxide." J.Solution Chem.20. 859-874 (1991)
[Publications] K.Waizumi: "Crystallographic Investigations on[Mg(H_2O)_6]XCl_3 Double Salts(X^+=K^+,Rb^+,Cs^+,NH_4^+):Crystal Structure of[Mg(H_2O)_6]CsCl_3." Amer.Mineralogist. 76. 1884-1888 (1991)
[Publications] H.Ohtaki: "Nucleation Processes of NaCl and CsF Crystals from Aqueous Solutions Studied by Molecular Dynamics Simulations." Pure&Appl.Chem.63. 1743-1748 (1991)
[Publications] H.Suzuki: "Structures of Zinc(II)and Copper(II)chloride N,N‐Dimethylformamide Solvates" Acta Crystallogr.C47. 1838-1842 (1991)
[Publications] Y.Tamura: "An MD Simulation of Concentrated Aqueous Solutions of Caesium Iodide," Z.Naturorsch.46a. (1991)
[Publications] H.Ohtaki: "A Structural Study on Saturated Aqueous Solutions of Some Alkali Halides by X‐Ray Diffraction." J.Solution Chem.210. (1992)
[Publications] H.Ohtaki: "An Attempt to Parameterize the Structuredness of Solvates." J.Solution Chem.21. (1992)
[Publications] K.Waizumi: "X‐ray Structural Studies on FeBr_2・4H_2O,CoBr_2・4H_2O,NiCl_2・4H_2O,CuBr_2・4H_2O.Cis/trans Selectivity in Transition Metal(II)Dihalide Tetrahydrates." Inorg.Chim.Acta.
[Publications] H.Ohtaki: "Structure of Divalent Transition‐Metal Complexes at Consecutive Steps of Interaction with Halide and Thiocyanate Ions in Solution." J.Indian Chem.Soc.
[Publications] K.Waizumi: "Structure of 2RbCl.CuCl_2.2H_2O." Acta Crystallogr.
[Publications] F.Kawaizumi: "Limiting Ionic Partial Molar Volumes of Ions in Water‐Methanol and Wateer‐Acetonitrile." Bull.Chem.Soc.Jpn.64. 510-515 (1991)
[Publications] S.Koda: "Study on Ion Association and Solvation of Thiocyanates in Water‐DMFMixtures:An Ultrasonic Study." J.Chem.Soc.Faraday Trans.87. 287-291 (1991)
[Publications] S.Koda: "Hydration of Methyl Cellulose." Polymer. 32. 2806-2809 (1991)
[Publications] M.Ohba: "Effects of Molecular Conformation on the Packing Density in Liquid State.2.Effects of Attractive Forces." J.Phys.Chem.95. 1399-1402 (1991)
[Publications] F.Kawaizumi: "Dissolved State of Ionene Polymers in Water‐Acetone and Their Relation to Ionic Partial Molar Adiabatic Compressibility and Volume." J.Solution Chem.20. 1129-1138 (1991)
[Publications] S.Kato: "Ultrasonic Relaxation Study of the Micelle‐Monomer Exchange Process in Aqueous Solutions of Dodecyltrimethylammonium Bromide in the Presence of NaBr." J.Colloid.Interface.Sci.146. 53-62 (1991)
[Publications] M.Tanaka: "A Simple Method for the Evaluation of Enthalpy of Proton Dissociation in Water." Bull.Chem.Soc.Jpn.65. (1992)
[Publications] M.Ohba: "Effects of Molecular Conformation on the Packing Density in the Liquid State.3.Partial Molar Volume Differences of cis and trans Conformers at Infinite Dilution." J.Phys.Chem.
[Publications] S.Koda: "Study on Orientational Motion of Liquid Crystals by Acoustically Induced Birefringence." Jpn.J.Appl.Phys.
[Publications] N.Matsubayashi: "Dynamics in Regular Solutions.Concentration and Viscosity Dependence of Orientational Relaxation Time of a Benzene Molecule." J.Chem.Phys.94. 653-661 (1991)
[Publications] K.Ibuki: "Solvent Isotope Effect on the Viscosity Coefficient B for Monovalnet Ions in Water at 25 and 45℃." Z.Naturforsch.45a. 127-130 (1991)
[Publications] M.Nakahara: "Rotational Dynamics of Solitary Water in Hydrophobic Solvent." Naturure.
[Publications] M.Nakahara: "The Behavior of Carbon Dioxide in Water at Various Pressures and Temperatures." Proceedings of Symposium on Chemistry of Water and Steam in Power Plants. 91. 73-76 (1991)
[Publications] 中原勝: "高圧下の高分子水溶液の疎水効果" 表面. (1992)
[Publications] T.Tanaka: "Kinetic Studies on Conformational Change of Cryptand 221 and Formation of Copper(II)Cryptate 221 in Dimethyl Sulfoxide,N,N‐Dimethylformamide,and Acetonitrile." J.Am.Chem.Soc.113. 1259-1265 (1991)
[Publications] M.Mizuno: "Water Exchange of the(oーPhenylenediamineーN,N,N',N'ーtetraacetato)ferrate(III)Complex in Aqueous Solution as Studied by VariableーTemperature,ーperssre andーFrequency Oxygenー17 NMR Techniques." Inorg.Chem.30. 1550-1553 (1991)
[Publications] M.Inamoo: "Variable‐Pressure Kinetic and Equilibrium Study of the Complexation of the Beryllium(II)Ion with 4‐Isopropyltropolone in Acidic Aqueous Solution." Inorg.Chem.30. 1580-1583 (1991)
[Publications] K.Ishihara: "Mechanistic Study of the Complex formation of Boric Acid." Inorg.Chem.30. 2356-2360 (1991)
[Publications] M.Mizuno: "Solvent Bulkiness Effect on N,N‐Dimethylformamide Exchange of the o‐phenylenediamine‐N,N,N',N'‐tetraacetatoferrate(III)Complex as Studied by a High‐Pressure NMR Method." Bull.Chem.Soc.Jpn.60. 1988-1990 (1991)
[Publications] Y.Shimizu: "Kinetic Studies of the Incorporation of the Zinc(II)Ion into Water‐Soluble N‐Phenyl‐Substituted Porphyrins.Deformation Effect on the Metallation Rate." Bull.Chem.Soc.Jpn.
[Publications] S.Soyama: "Variable‐Temperature and‐Pressure Multinuclear Magnetic Resonance Study on Solvent Exchange at Tris(ethylenediamine)nickel(II)Ion in Ethylenediamine." Inorg.Chem.
[Publications] S.Funahashi: "High‐Pressure Stopped‐Flow NMR Apparatus for the Study of Fast Reactions in Solution." Rev.Sci.Instrum.
[Publications] 関集三: "失敗を悟る経験" 化学. 46. 22-28 (1991)
[Publications] C.E.Scaffer: "Ligand Filed of Conjugated Bidentate Ligands Parametrized by the Angular Overlap Model." Inorg.Chem.30. 2840-2853 (1991)
[Publications] M.Sano: "XANES Spectra of Some Copper(II)Complexes:Correlation of the Intensity of 1s→3d Transition and the Shape of the Complex." Inorg.Chem.
[Publications] H.Ohtaki: "Local Structure of Macromolecule‐Metal Complexes in Solutions,in“Macromolecular Complexes,"Ed.E.Tsuchida." VCH,New York, 36 (1991)
[Publications] 大瀧仁志: "食塩結晶の溶解と核生成を視る" 数理科学, 6 (1991)
[Publications] 大瀧仁志: "化学の本を考える" 化学, 8 (1991)
[Publications] 脇田久伸: "水の構造と物性" 繊維と工業,
[Publications] 野村浩康: "新たな展開を見せるソノケミストリ-" 日本工業出版,
[Publications] 中原勝: "高圧科学と加工食品第4章液相反応に対する圧力効果は何故起こるか" さんえい, 17 (1991)
[Publications] 中原勝: "高圧流体技術第12章高圧化学反応" 丸善, 24 (1991)
[Publications] 舟橋重信: "溶液内反応" ぶんせき, 3 (1991)
[Publications] 石原浩二: "溶液内迅速反応の測定と解析" ぶんせき, 10 (1991)
[Publications] 関集三: "失敗に学ぶ‐自然は最高の教師 (学術振興のすすめ(2))" 日本学術振興会, 188 (1991)

1991 Fiscal Year Annual Research Report

溶液の非平衡過程の分子論的アプロ-チに関する総合解析

Principal Investigator

大瀧 仁志 岡崎国立共同研究機構, 分子科学研究所, 教授 (80022549)

Research Products

[Publications] K.Waizumi: "Structure of MgCl_2.Rbcl.6H_2O." Acta.Crystallogr.C47. 251-254 (1991)

[Publications] N.Fukushima: "Dissolution of Alkali Fluoride and Chloride Crystals in Water Studied by Molecular Dynamics Simulations." Z.Naturforsch. 46a. 193-202 (1991)

[Publications] K.Waizumi: "X‐ray Diffraction Studies on Ternary MgCl_2‐KCl‐H_2O and MgCl_2‐CsCl‐H_2O Solutions Saturated with the Corresponding Double Salts." Z.Naturforsch. 46a. 307-312 (1991)

[Publications] H.Wakita: "Structure Determination of Zinc Iodide Complexes Formed in Aqueous Solutions." J.Solution Chem.20. 643-668 (1991)

[Publications] G.Johansson: "Coordination around Thorium(IV)in Aqueous Perchlorate,Chloride and Nitrate Solutions." J.Solution Chem.20. 775-792 (1991)

[Publications] G.Johansson: "Structure of the Solvated Metal Ions in Nitrate and Chloride Solutions of Erbium(III)and Yttrium(III)in Dimethyl Sulfoxide." J.Solution Chem.20. 859-874 (1991)

[Publications] K.Waizumi: "Crystallographic Investigations on[Mg(H_2O)_6]XCl_3 Double Salts(X^+=K^+,Rb^+,Cs^+,NH_4^+):Crystal Structure of[Mg(H_2O)_6]CsCl_3." Amer.Mineralogist. 76. 1884-1888 (1991)

[Publications] H.Ohtaki: "Nucleation Processes of NaCl and CsF Crystals from Aqueous Solutions Studied by Molecular Dynamics Simulations." Pure&Appl.Chem.63. 1743-1748 (1991)

[Publications] H.Suzuki: "Structures of Zinc(II)and Copper(II)chloride N,N‐Dimethylformamide Solvates" Acta Crystallogr.C47. 1838-1842 (1991)

[Publications] Y.Tamura: "An MD Simulation of Concentrated Aqueous Solutions of Caesium Iodide," Z.Naturorsch.46a. (1991)

[Publications] H.Ohtaki: "A Structural Study on Saturated Aqueous Solutions of Some Alkali Halides by X‐Ray Diffraction." J.Solution Chem.210. (1992)

[Publications] H.Ohtaki: "An Attempt to Parameterize the Structuredness of Solvates." J.Solution Chem.21. (1992)

[Publications] K.Waizumi: "X‐ray Structural Studies on FeBr_2・4H_2O,CoBr_2・4H_2O,NiCl_2・4H_2O,CuBr_2・4H_2O.Cis/trans Selectivity in Transition Metal(II)Dihalide Tetrahydrates." Inorg.Chim.Acta.

[Publications] H.Ohtaki: "Structure of Divalent Transition‐Metal Complexes at Consecutive Steps of Interaction with Halide and Thiocyanate Ions in Solution." J.Indian Chem.Soc.

[Publications] K.Waizumi: "Structure of 2RbCl.CuCl_2.2H_2O." Acta Crystallogr.

[Publications] F.Kawaizumi: "Limiting Ionic Partial Molar Volumes of Ions in Water‐Methanol and Wateer‐Acetonitrile." Bull.Chem.Soc.Jpn.64. 510-515 (1991)

[Publications] S.Koda: "Study on Ion Association and Solvation of Thiocyanates in Water‐DMFMixtures:An Ultrasonic Study." J.Chem.Soc.Faraday Trans.87. 287-291 (1991)

[Publications] S.Koda: "Hydration of Methyl Cellulose." Polymer. 32. 2806-2809 (1991)

[Publications] M.Ohba: "Effects of Molecular Conformation on the Packing Density in Liquid State.2.Effects of Attractive Forces." J.Phys.Chem.95. 1399-1402 (1991)

[Publications] F.Kawaizumi: "Dissolved State of Ionene Polymers in Water‐Acetone and Their Relation to Ionic Partial Molar Adiabatic Compressibility and Volume." J.Solution Chem.20. 1129-1138 (1991)

[Publications] S.Kato: "Ultrasonic Relaxation Study of the Micelle‐Monomer Exchange Process in Aqueous Solutions of Dodecyltrimethylammonium Bromide in the Presence of NaBr." J.Colloid.Interface.Sci.146. 53-62 (1991)

[Publications] M.Tanaka: "A Simple Method for the Evaluation of Enthalpy of Proton Dissociation in Water." Bull.Chem.Soc.Jpn.65. (1992)

[Publications] M.Ohba: "Effects of Molecular Conformation on the Packing Density in the Liquid State.3.Partial Molar Volume Differences of cis and trans Conformers at Infinite Dilution." J.Phys.Chem.

[Publications] S.Koda: "Study on Orientational Motion of Liquid Crystals by Acoustically Induced Birefringence." Jpn.J.Appl.Phys.

[Publications] N.Matsubayashi: "Dynamics in Regular Solutions.Concentration and Viscosity Dependence of Orientational Relaxation Time of a Benzene Molecule." J.Chem.Phys.94. 653-661 (1991)

[Publications] K.Ibuki: "Solvent Isotope Effect on the Viscosity Coefficient B for Monovalnet Ions in Water at 25 and 45℃." Z.Naturforsch.45a. 127-130 (1991)

[Publications] M.Nakahara: "Rotational Dynamics of Solitary Water in Hydrophobic Solvent." Naturure.

[Publications] M.Nakahara: "The Behavior of Carbon Dioxide in Water at Various Pressures and Temperatures." Proceedings of Symposium on Chemistry of Water and Steam in Power Plants. 91. 73-76 (1991)

[Publications] 中原 勝: "高圧下の高分子水溶液の疎水効果" 表 面. (1992)

[Publications] T.Tanaka: "Kinetic Studies on Conformational Change of Cryptand 221 and Formation of Copper(II)Cryptate 221 in Dimethyl Sulfoxide,N,N‐Dimethylformamide,and Acetonitrile." J.Am.Chem.Soc.113. 1259-1265 (1991)

[Publications] M.Mizuno: "Water Exchange of the(oーPhenylenediamineーN,N,N',N'ーtetraacetato)ferrate(III)Complex in Aqueous Solution as Studied by VariableーTemperature,ーperssre andーFrequency Oxygenー17 NMR Techniques." Inorg.Chem.30. 1550-1553 (1991)

[Publications] M.Inamoo: "Variable‐Pressure Kinetic and Equilibrium Study of the Complexation of the Beryllium(II)Ion with 4‐Isopropyltropolone in Acidic Aqueous Solution." Inorg.Chem.30. 1580-1583 (1991)

[Publications] K.Ishihara: "Mechanistic Study of the Complex formation of Boric Acid." Inorg.Chem.30. 2356-2360 (1991)

[Publications] M.Mizuno: "Solvent Bulkiness Effect on N,N‐Dimethylformamide Exchange of the o‐phenylenediamine‐N,N,N',N'‐tetraacetatoferrate(III)Complex as Studied by a High‐Pressure NMR Method." Bull.Chem.Soc.Jpn.60. 1988-1990 (1991)

[Publications] Y.Shimizu: "Kinetic Studies of the Incorporation of the Zinc(II)Ion into Water‐Soluble N‐Phenyl‐Substituted Porphyrins.Deformation Effect on the Metallation Rate." Bull.Chem.Soc.Jpn.

[Publications] S.Soyama: "Variable‐Temperature and‐Pressure Multinuclear Magnetic Resonance Study on Solvent Exchange at Tris(ethylenediamine)nickel(II)Ion in Ethylenediamine." Inorg.Chem.

[Publications] S.Funahashi: "High‐Pressure Stopped‐Flow NMR Apparatus for the Study of Fast Reactions in Solution." Rev.Sci.Instrum.

[Publications] 関 集三: "失敗を悟る経験" 化学. 46. 22-28 (1991)

[Publications] C.E.Scaffer: "Ligand Filed of Conjugated Bidentate Ligands Parametrized by the Angular Overlap Model." Inorg.Chem.30. 2840-2853 (1991)

[Publications] M.Sano: "XANES Spectra of Some Copper(II)Complexes:Correlation of the Intensity of 1s→3d Transition and the Shape of the Complex." Inorg.Chem.

[Publications] H.Ohtaki: "Local Structure of Macromolecule‐Metal Complexes in Solutions,in“Macromolecular Complexes,"Ed.E.Tsuchida." VCH,New York, 36 (1991)

[Publications] 大瀧 仁志: "食塩結晶の溶解と核生成を視る" 数理科学, 6 (1991)

[Publications] 大瀧 仁志: "化学の本を考える" 化学, 8 (1991)

[Publications] 脇田 久伸: "水の構造と物性" 繊維と工業,

[Publications] 野村 浩康: "新たな展開を見せるソノケミストリ-" 日本工業出版,

[Publications] 中原 勝: "高圧科学と加工食品 第4章 液相反応に対する圧力効果は何故起こるか" さんえい, 17 (1991)

[Publications] 中原 勝: "高圧流体技術 第12章 高圧化学反応" 丸善, 24 (1991)

[Publications] 舟橋 重信: "溶液内反応" ぶんせき, 3 (1991)

[Publications] 石原 浩二: "溶液内迅速反応の測定と解析" ぶんせき, 10 (1991)

[Publications] 関 集三: "失敗に学ぶ‐自然は最高の教師 (学術振興のすすめ(2))" 日本学術振興会, 188 (1991)

大瀧仁志岡崎国立共同研究機構, 分子科学研究所, 教授 (80022549)

[Publications] 中原勝: "高圧下の高分子水溶液の疎水効果" 表面. (1992)

[Publications] 関集三: "失敗を悟る経験" 化学. 46. 22-28 (1991)

[Publications] 大瀧仁志: "食塩結晶の溶解と核生成を視る" 数理科学, 6 (1991)

[Publications] 大瀧仁志: "化学の本を考える" 化学, 8 (1991)

[Publications] 脇田久伸: "水の構造と物性" 繊維と工業,

[Publications] 野村浩康: "新たな展開を見せるソノケミストリ-" 日本工業出版,

[Publications] 中原勝: "高圧科学と加工食品第4章液相反応に対する圧力効果は何故起こるか" さんえい, 17 (1991)

[Publications] 中原勝: "高圧流体技術第12章高圧化学反応" 丸善, 24 (1991)

[Publications] 舟橋重信: "溶液内反応" ぶんせき, 3 (1991)

[Publications] 石原浩二: "溶液内迅速反応の測定と解析" ぶんせき, 10 (1991)

[Publications] 関集三: "失敗に学ぶ‐自然は最高の教師 (学術振興のすすめ(2))" 日本学術振興会, 188 (1991)