Hydrogen-bonding structures studied by electron density analysis,X-ray diffraction and magnetic resonance

• Project/Area Number: 19550018
• Research Category: Grant-in-Aid for Scientific Research (C)
• Allocation Type: Single-year Grants
• Section: 一般
• Research Field: Physical chemistry
• Research Institution: Okayama University
• Principal Investigator: ISHIDA Hiroyuki Okayama University, 大学院・自然科学研究科, 教授 (70193331)
• Co-Investigator(Kenkyū-buntansha): GOTOH Kazuma 岡山大学, 大学院・自然科学研究科, 助教 (20385975)
• Project Period (FY): 2007 – 2008
• Project Status: Completed (Fiscal Year 2008)
• Budget Amount: ¥4,680,000 (Direct Cost: ¥3,600,000、Indirect Cost: ¥1,080,000); Fiscal Year 2008: ¥2,210,000 (Direct Cost: ¥1,700,000、Indirect Cost: ¥510,000); Fiscal Year 2007: ¥2,470,000 (Direct Cost: ¥1,900,000、Indirect Cost: ¥570,000)
• Keywords: 結晶構造 / 分子構造 / 水素結合 / X線構造解析 / 核四極共鳴 / 相転移

Research Abstract

結晶中における強い水素結合の静的構造と動的構造を明らかにする目的で、単結晶X線回折と核磁気共鳴(NMR)・核四極共鳴(NQR)の測定を行った。対象とした系は、短いN-H...O(あるいはN...H-O)型水素結合をもつと期待される、クロラニル酸-ピリジン類およびクロロニトロ安息香酸-ピリジン類である。主な成果は、 (1)クロラニル酸-フェナジン1 : 1化合物における強誘電体相間の相転移とO...H...N水素結合との関係の解明(2)クロラニル酸-1, 2-ジアジン1 : 2化合物におけるN...H...O水素結合系のポテンシャルエネルギーの解明(3)プロトン移動を伴う短いN...H...O水素結合を有するクロロニトロ安息香酸-キノリン及びクロロニトロ安息香酸-フタラジン化合物系の発見である。

Research Products

• [Journal Article] Hydrogen-bonded structures of threeisomeric 2- (2009)
  • Author(s): K. Gotoh, H. Nagoshi, and H. Ishida
  • Journal Title: 3- and 4-carbamoylpyridinium hydrogen chloranilates Acta Cryst C65
  • Peer Reviewed
• [Journal Article] Hydrogen bonding in 1, 2-diazine-chloranilic acid(2/1)studied by ^<14>N nuclear quadrupole couplingtensor and multi-temperature X-ray diffraction (2009)
  • Author(s): J. Seliger, V. Zagar, K. Gotoh, H.Ishida, A. Konnai, D. Amino and TetsuoAsaji
  • Journal Title: Phys. Chem. Chem. Phys 11 Pages: 2281-2286
  • Peer Reviewed
• [Journal Article] Crystal structure of three solvatedAlpinumisoflavones (2009)
  • Author(s): J. J. E. K. Harrison, Y. Tabuchi, H.Ishida and R. Kingsford-Adaboh
  • Journal Title: Struct. Chem 20 Pages: 203-211
  • Peer Reviewed
• [Journal Article] 2-Carboxypyridinium hydrogen chloranilate (2009)
  • Author(s): K. Gotoh, H. Nagoshi, and H. Ishida
  • Journal Title: Acta Cryst E65
  • Peer Reviewed
• [Journal Article] Hydrogen bonding in 1, 2-diazine-chloranilic acid (2/1)studied by 14N nuclear quadrupole coupling tensor and multi-temperature X-ray diffraction (2009)
  • Author(s): J. Seliger, (他6名)
  • Journal Title: Phys. Chem. Chem. Phys. 11 Pages: 2281-2286
  • Peer Reviewed
• [Journal Article] Crystal structure of three solvated Alpinumisoflavones (2009)
  • Author(s): J. J. E. K. Harrison, (他3名)
  • Journal Title: Struct. Chem. 20 Pages: 203-221
  • Peer Reviewed
• [Journal Article] 2-Carboxypyridinium hydrogen chloranilate (2009)
  • Author(s): K. Gotoh, (他2名)
  • Journal Title: Acta Cryst. E E65
  • Peer Reviewed
• [Journal Article] Hydrogen bonding in 1,2-diazine-chloranilic acid(2/1)and1 (2008)
  • Author(s): K. Gotoh, T. Asaji and H. Ishida
  • Journal Title: 4-diazine-chlaranilic acid(2/1)determined at 110 Kacta Cryst C64
  • Peer Reviewed
• [Journal Article] 1, 2-Diazinium hydrogen chloranilate (2008)
  • Author(s): K. Gotoh and H. Ishida
  • Journal Title: Acta Cryst E64
  • Peer Reviewed
• [Journal Article] Redermination ofpyridine-4-carbonitrile- (2008)
  • Author(s): K. Gotoh, H. Nagoshi and H. Ishida
  • Journal Title: chloranilic acid(1/1)at 180 K Acta Cryst E64
  • Peer Reviewed
• [Journal Article] Hydrogen bonding in 1, 2-diazine--chloranilic acid (2/1)and 1, 4-diazine--chlaranilic acid (2/1)determined at 110 K (2008)
  • Author(s): K. Gotoh, (他2名)
  • Journal Title: Acta Cryst. C C64
  • Peer Reviewed
• [Journal Article] Redermination of pyridine-4-carbonitrile--chloranilic acid (1/1)at 180 K (2008)
  • Author(s): K. Gotoh, (他2名)
  • Journal Title: Acta Cryst. E E64
  • Peer Reviewed
• [Journal Article] Alpinurai soflavone (2008)
  • Author(s): J. J. E. K. Harrison, (他3名)
  • Journal Title: Acta Cryst. E E64
  • Peer Reviewed
• [Journal Article] Hydrogen bonding in two solid phases of phenazine-chloranilic acid(1/1) (2007)
  • Author(s): K. Gotoh, T. Asaji and H. Ishida
  • Journal Title: determined at 170 and 93 K Acta Cryst C63
  • Peer Reviewed
• [Journal Article] Phase transition and temperaturedependent electronic state of an organicferroelectric (2007)
  • Author(s): T. Asaji, J. Seliger, V. Zagar, M.Sekiguchi, J. Watanabe, K. Gotoh, H.Ishida, S. Vrtbik and J. Dolinsek
  • Journal Title: phenazine-chloranilic acid(1 : 1)J. Phys. : Condens. Mater 19 Pages: 226203-226203
  • Peer Reviewed
• [Journal Article] 4, 4'-Bipiperidinium bis(hydrogenchloranilate) (2007)
  • Author(s): K. Gotoh, R. Ishikawa and H. Ishida
  • Journal Title: Acta Cryst E63
  • Peer Reviewed
• [Journal Article] 4, 4'-Bipyridyl-2-chloro-4-nitrobenzoic acid(1/2) (2007)
  • Author(s): K. Gotoh and H. Ishida
  • Journal Title: Acta Cryst E63
  • Peer Reviewed
• [Journal Article] Bis(adenium)chloranilate dihydrate (2007)
  • Author(s): K. Gotoh, R. Ishikawa and H. Ishida
  • Journal Title: Acta Cryst E63
  • Peer Reviewed
• [Journal Article] Quinoxaline-chloranilic acid(1/1) (2007)
  • Author(s): K. Gotoh, H. Nagoshi and H. Ishida
  • Journal Title: Acta Cryst E63
  • Peer Reviewed
• [Journal Article] Hydrogen bonding in two solid phases of phenazine-chloranilic acid(1/1)determined at 170 and 93 K (2007)
  • Author(s): K. Gotoh, et. al.
  • Journal Title: Acta Cryst. C63
  • NAID: 120002314091
  • Peer Reviewed
• [Journal Article] Phase transition and temperature dependent electronic state of an organic ferroelectric, phenazine-chloranilic acid(1:1) (2007)
  • Author(s): T. Asaji, et. al.
  • Journal Title: J. Phys.: Condens. Matter 19
  • Peer Reviewed
• [Journal Article] Quinoxaline-chloranilic acid(1/1) (2007)
  • Author(s): K. Gotoh, et. al.
  • Journal Title: Acta Cryst. E63
  • Peer Reviewed
• [Journal Article] Bis(adenium)chloranilate dihydrate (2007)
  • Author(s): K. Gotoh, et. al.
  • Journal Title: Acta Cryst. E63
  • Peer Reviewed
• [Journal Article] 4,4'-Bipyridyl-2-chloro-4-nitrobenzoic acid(1/2) (2007)
  • Author(s): K. Gotoh and H. Ishida
  • Journal Title: Acta Cryst. E63
  • Peer Reviewed
• [Journal Article] 4,4'-Bipiperidinium bis(hydrogen chloranilate) (2007)
  • Author(s): K. Gotoh, et. al.
  • Journal Title: Acta Cryst. E63
  • Peer Reviewed
• [Presentation] ^<14>N核四極結合定数から見た1, 2-ジアジン-クロラニル酸(2 : 1)結晶中の水素結合状態 (2008)
  • Author(s): J. Seliger, V. Zagar, 後藤和馬, 石田祐之, 近内亜紀子, 網野大輝, 浅地哲夫
  • Organizer: 第2回分子科学討論会
  • Place of Presentation: 福岡(福岡国際会議場)
  • Year and Date: 2008-09-24
• [Presentation] 短い水素結合を持つキノリン-クロロニトロ安息香酸系化合物の結晶構造 (2008)
  • Author(s): 後藤和馬, 石田祐之
  • Organizer: 第2回分子科学討論会
  • Place of Presentation: 福岡(福岡国際会議場)
  • Year and Date: 2008-09-24
• [Presentation] 短い水素結合を持つキノリン-クロロニトロ安息香酸系化合物の結晶構造 (2008)
  • Author(s): 石田祐之, (他1名)
  • Organizer: 第2回分子科学討論会2008
  • Place of Presentation: 福岡(福岡国際会議場)
  • Year and Date: 2008-09-24
• [Presentation] 14N核四極結合定数から見た1, 2-ジアジン-クロラニル酸(2:1)結晶中の水素結合状態 (2008)
  • Author(s): 浅地哲夫, (他6名)
  • Organizer: 第2回分子科学討論会2008
  • Place of Presentation: 福岡(福岡国際会議場)
  • Year and Date: 2008-09-24
• [Presentation] 短い水素結合を持つクロラニル酸-アミン化合物の結晶構造 (2007)
  • Author(s): 後藤和馬・戸田大介・名越弘和・浅地哲夫・石田祐之
  • Organizer: 日本化学会西日本大会
  • Place of Presentation: 岡山大学
  • Year and Date: 2007-11-10
• [Presentation] 短い水素結合を持つクロラニル酸-アミン化合物の結晶構造 (2007)
  • Author(s): 後藤和馬, 戸田大介, 名越弘和, 浅地哲夫, 石田祐之
  • Organizer: 第一回分子科学討論会
  • Place of Presentation: 東北大学川内北キャンパス
  • Year and Date: 2007-09-18
• [Presentation] 短い水素結合を持つクロラニル酸-アミン化合物の結晶構造 (2007)
  • Author(s): 後藤和馬, 他4名
  • Organizer: 第一回分子科学討論会
  • Place of Presentation: 東北大学
  • Year and Date: 2007-09-18