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高次機能分子の開発に適した高精度分子設計手法の確立に関する基礎研究

Research Project

Project/Area Number 07355022
Research Category

Grant-in-Aid for Co-operative Research (B)

Allocation TypeSingle-year Grants
Research Field 有機工業化学
Research InstitutionSaitama University

Principal Investigator

時田 澄男  埼玉大学, 工学部, 教授 (20008866)

Co-Investigator(Kenkyū-buntansha) 下村 政嗣  北海道大学, 電子科学研究所, 教授 (10136525)
横山 泰  横浜国立大学, 工学部, 助教授 (60134897)
藤嶋 昭  東京大学, 大学院・工学研究科, 教授 (30078307)
松岡 賢  京都女子大学, 家政学部, 教授 (30081326)
西本 吉助  大阪市立大学, 理学部, 名誉教授 (20046949)
Project Period (FY) 1995
Project Status Completed (Fiscal Year 1995)
Budget Amount *help
¥2,300,000 (Direct Cost: ¥2,300,000)
Fiscal Year 1995: ¥2,300,000 (Direct Cost: ¥2,300,000)
Keywordsπ-電子系機能物質 / Chemidal Softness / 電子スペクトル / 分子軌道法 / 高精度分子設計 / 多機能色素 / 分子動力学法 / 分子力学法
Research Abstract

本総合研究(B)は,わが国が世界に先駆けて展開し,国際会議の開催等によってその将来性が広く世界に認められるようになった機能性色素をはじめとする高次機能分子の設計手法を基礎的観点から見直し,これまでにない機能を発現する新規な分子骨格の提案に結実させる準備・調査として位置づけられる.この目的を達成するため,理論科学者・合成科学者・物性物理学者からなる21名の研究組織を作成した.また,これらのメンバーが中心となって高精度分子設計研究会を組織し,日本化学会の研究会として登録を申請した.平成7年度中に全体会議を3回行い,うち1回は公開シンポジウムとした.後者では,100名以上の参加を得て,この分野への関心の高さが反映された.別に,サブテーマ毎の分科会を計10回開催し,調査・研究の内容の詳細な検討を行った.これらの過程において,研究組織以外の参加者を含めた討議も随時行い,調査結果の内容を深めて別添えの報告書を取りまとめた.
以上の準備・調査の結果,今後は機能性色素の概念を一歩進め,多機能色素のキーワードの下に重点領域研究に発展させることが重要かつ緊急であるとの認識を得た.すなわち,単一分子またはそれから構成されるシステムの中に多種類の機能を包含していて高次の機能を発現する色素を多機能色素と定義する.そして,多機能色素に関して,3つの研究項目,A. 合成,B. 物性制御,C. 設計理論,を設定して研究班を組織する.各班は有機的な連携のもとに基礎研究を強力に推進し,生命機能を凌駕する多機能色素の設計の指導原理の確立を目指す.
上記の各項目には,萌芽的研究もすでに多く含まれており,これら新分野がさらに発展して高次機能分子の新しいフロンティアを切り拓くことが期待される.

Report

(1 results)
  • 1995 Annual Research Report
  • Research Products

    (37 results)

All Other

All Publications (37 results)

  • [Publications] S. Tokita, K. Hiruta, and K. Nishimoto,: "Precise Pariser-Parr-Pople Molecular Orbital Calculations Using New-y-A Novel Guiding Principle for the Design of Functional Materials" Macromol. Symposia. (in press). (1996)

    • Related Report
      1995 Annual Research Report
  • [Publications] K. Hiruta, S. Tokita, and K. Nishimoto: "Precise PPP Molecular Orbital Calculations of Excitation Energies of Polycyclic Aromatic Hydrocarbons. Part2. Evaluation of the Spectrochemical Softness Parameter Based on the Spectroactive Partial Structure of a Molecule" Dyes and Pigments. (in press). (1996)

    • Related Report
      1995 Annual Research Report
  • [Publications] 時田澄男: "多機能色素と高精度分子設計" 高分子錯体研究会 アニュアルレポート 1994. (in press). (1996)

    • Related Report
      1995 Annual Research Report
  • [Publications] T. Abe, T. Yoshida, S. Tokita, F. Taguchi, H. Iyama, M. Kaneko: "Factors Affectiong Selective Electrocatalytic CO_2 Reduction with Cobalt Phtalocyanine Incorporated in Polyvinylpyridine Membrane Coated on Graphite Electrode" J. Electroanal. Chem.(in press). (1996)

    • Related Report
      1995 Annual Research Report
  • [Publications] M. Yagi, S. Tokita, K. Nagoshi, I. Ogino, M. kaneko: "Activity Analysis of Water Oxidation Catalyst Immobilizad in a Polymer Membrane" J. Chem. Soc., Faraday Trans.(in press). (1996)

    • Related Report
      1995 Annual Research Report
  • [Publications] 渡部智博, 太刀川達也, 北原信孝, 時田澄男: "アントラジクロメンの電子状態とそのエンドペルオキシド体の構造化学" J. Chem. Software. (in prss). (1996)

    • Related Report
      1995 Annual Research Report
  • [Publications] Kubo Y., Maruyama S., Ohhara N., Nakamura, M., and Tokita S.: "Moleculara Recognition of Butylamines by a Binaphthyl-derived Chromogenic Calix[4]crown" J. Chem. Soc., Chem. Commun.1727-1728 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] Hiruta, K., Tokita, S., Nishimoto, K.: "Precise PPP Molecular Orbital Calculation of Excitation Energies of Polycyclic Aromatic Hydrocarbons. Part 1.On the Correlation between the Chemical Softness and the Absolute Hardness" J. Chem. Soc, Perkin Trans. 2. 1443-1448 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] 時田澄男: "色素化学と計算化学" 平成7年度科学研究費補助金総合研究(B) 高次機能分子の開発に適した高精度分子設計手法の開発に関する研究. 11-15 (1996)

    • Related Report
      1995 Annual Research Report
  • [Publications] 時田澄男: "種々のビジュアリゼーション技術と量子化学" 平成7年度科学研究費補助金総合研究(B) 有機化学の軌道理論. 51-56 (1996)

    • Related Report
      1995 Annual Research Report
  • [Publications] Aoki, Y., Nohira, H.: "Synthesis and Properties of Optically Active α-TrifluoromethylbenzylDerivatives for Ferroelectric Liquid Crystals" Liauid Crystals. 18. 197-205 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] Arikawa, T., TAjima, N., Tsuzuki. S., Tanabe, Hirano, T.: "A Possible Crystal Structure of 1,2-Dimethoxyethane: Prediction Based on a Lattice Variable Molecuar Dynamics" J. Mol. Struct.(THEOCHEM). 339. 115-124 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] Nawa, K., Imae, I., Noma, N., Shirota, Y.,: "Synthesis of a Novel Type of Electrochemically Doped Vinyl Polymer Containing Pendant Terthiophene and Its Electrical and Electrochromic Properties" Macromolecules. 28. 723-729 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] Takeda, J., Kurita, S., Yokoyama, Y., Goto, T.: "Non-Radiative Relaxation of Photochromic Fulgide" J. Phys. Soc. Jpn.64. 2343-2349 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] Uchida, S., Yamada, S., Yokoyama, Y., Kurita, Y: "Steric Effecrts of Substituents on Photochromism of Indolylfulgides" Bull. Chem. Soc. Jpn.68. 1677-1682 (1994)

    • Related Report
      1995 Annual Research Report
  • [Publications] Yokoyama, Y., Shimizu, Y., Uchida, S., Yokoyama, Y: "Optical Resolution of a Thermally Irreversible Photochromic Indolylfulgide" J. Chem. Soc., Chem. Cimmun.785-786 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] Irie, M., Uchida, K., Eriguchi, T., Tsuzuki, H.: "Photochromism of Single Crystalline Diarrylethenes" Chemistry Letters. 899-900 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] Akiyama, H., Momose, M., Ichimura, K., Yamamura, S.: "Surface-Selective Modification of Poly(vinyl alcohol)Films with Azobenzenes for In-Plane Alignment Photocontrol of Nematic Liquid Crystals" Macromolecules. 28. 288-293 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] Morigaki, K., Liu, Z. F., Hashimoto, K., Fujishima, A: "Azobenzene-Derivative Langmuir-Blodgett Files Deposited on Various Thiol Monolayers" J. Phys. Chem.99. 14771-14777 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] Kim, J, H., Matsuoka, M., Fukunishi, D: "Syntheses and Solid State Absorption Spectra of Amunonaphthoquine Dyes" Dyes Pigments. (in press). (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] Jaung, J. Y., Matsuoka, M., Fukunishi, D: "Syntheses and Properties of New Styryl Dyes Derived from 2,3-Dicyano-5-methylpyrazines" Dyes Pigments. (in press). (995)

    • Related Report
      1995 Annual Research Report
  • [Publications] Inoue, Y., Okamura, K., Kitajima, H., Takahashi, I., Morita, T., Matsuoka, M.: "Visible Absorption Spectra of Aryl-p-benzoquinones by Modified PPP MO Calculation" Dyes Pigments. 29. 345-354 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] Matsuoka, M., Oshida, A., Mizoguchi, A., Hattori, Y., Nishimura, A: "Molecular Design of Quinoid Dyes for 3rd Order NLO Materials" Nonlinear Optics. 10. 109-114hyou (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] Yokoyama, Y., Uchida, S., Yokoyama, Y., Sugawara, Y., Kurita, Y.: "Diastereoselective Photochromism of (R)-Binaphthol-condensed Indolylfulgide" J. Am. Chem.Soc.(in press). (1996)

    • Related Report
      1995 Annual Research Report
  • [Publications] S. Aiba, N. Tajima, N. Inoue, K. Okuyama: "“Crystal Engineering" Based on Two-Dimensional Molecular Assembles. Relation between Chemical Structure and Molecular Orientation in Cast Bilayer Films" Langmuir. 11. 969-976 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] T. Nagamura, S. Muta, K. Shiratori: "First Ion-Pair Chrage-Transfer Complex Showing a Specific CT Absorption Spectrum with well-resolved Vibrational Structure in Solution" Chem. Phys. Lett.238. 353-358 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] H. Hosoya: "Number and Shapes of the Atomic Orbitals of Four and Higher Dimensional Atoms" J. Mol. Struct.352/353. 561-565 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] M. Inouye, T. Miyake, M. Furusyo, H. Nakazumi: "Molecular Recognition of β-Ribofuranosides by Synthetic Polypyridine-Macrocyclic Receptors" J. Am. Chem. Soc.117. 12416-12425 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] T. Kato: "Supramolecular Liguid-Crystalline Complexes Exhibiting Room-Temperture Mesophases and Electrooptic Effect. Hydrogen-Bonded Mesogens Derived from Alkylpyridines and Benzoic Acids" Chem. Mater.7. 368-372 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] N. Kobayashi, H. Lam. W. A. Newin, P. Janda, C. C. Leznoff, T. Koyama, A. Monden, H. Shirai: "Synthesis, Spectroscopy, Electrochemistry, Spectroelectrochemistry, Langmuir-Blodgett Film Formation, and Molecular Orbital Calculations of Planer Binuclear Phthalocyanines" J. Am. Chem. Soc.116. 879-890 (1994)

    • Related Report
      1995 Annual Research Report
  • [Publications] J. Mizuguchi, G. Rihs, H. R. Karfunkel: "Solid-State Spectra of titanylphthalocyanine As Viewd form Molecular Distortion" J. Phys. Chem.99. 16217-16227 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] M. Sawada, Y. Takai, H. Yamada, S, Hirayama, T. Kaneda, T. Tnaka, K. Kamada, T. Mizooku, K. Naemura: "Chiral Recognition in Host-Guest Complexation Determined by the Enantiomer-Labeled Guest Method Using Fast Atom Bombardment Mass Spectrometry" J. Am. Chem. Soc. 117. 7726-7736 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] H. Nishide: "High-Spin Alignment in π-Conjugated Polyradicals: A Magnetic Polymer" Adv. Mater.7. 1001-1005 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] N. Toshima, S. Kawamura, T. Tominaga: "Reversible Electrochromism in the Thin Films of Single-Transition Metal Phthalocyanines" Chem. Lett.1299-1302 (1993)

    • Related Report
      1995 Annual Research Report
  • [Publications] H. Takenuma, S. Takenuma, Y. Matsubara, H. Yamamoto, T. Nozoe: "X-Ray Crystal Structure of Guaiazulenequinone and the Structures if Two New Guaiazulennone Derivertives" Chem. Lett.465 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] K. Yoshida, J. Yamazaki, Y. Tagashira, S. Watanabe: "Synthesis of New Imidazoanthraquinol Fluaraphores and Their Fluarescence and Solid-State Inclusion Properties" Chem. Lett.9 (1996)

    • Related Report
      1995 Annual Research Report
  • [Publications] 時田澄男: "季刊化学総説「有機フォトクロミズムの化学」 縮合多環芳香族化合物の光増刊酸素か反応に基づくフォトクロミズム" 学会出版センター, 135-140 (1996)

    • Related Report
      1995 Annual Research Report

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

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