课题基金 / 基金详情

Conformations of Cycloalkylammonoium Ions in Crystal

Conformations of Cycloalkylammonoium Ions in Crystal
晶体中环烷基铵离子的构象
批准号:
10440208
负责人:
ISHIDA Hiroyuki
金额:
$0.96万
依托单位:
依托单位国家:
日本
项目类别:
Grant-in-Aid for Scientific Research (B).
财政年份:
1998
资助国家:
日本
项目状态:
已结题
起止时间:
1998 至 2000

项目摘要

项目成果

ISHIDA Hiroyuki的其他基金

相似基金

相关文献

中文摘要
翻译
制备了A_2MCl_6配合物(A=C_4H_8NH_2, C_5H_< 10bbb_nh_2, C_6H_< 12bbb_nh_2; M=Sn, Te, Pt),用单晶x射线衍射测定了它们在室温下的晶体结构。对(C_4H_8NH_2)_2MCl_6进行了^1H NMR、^<35>Cl NQR和热分析(DTA和DSC)。研究了C_4H_8NH_2^+离子的构象、正离子和阴离子的运动以及固-固相变的机理。热分析发现(C_5H_<10 bbb_nh_2)_2MCl_6和(C_6H_<12 bbb_nh_2)_2MCl_6存在固固转变,并对其温度和焓变进行了计算。对分离的C_4H_8NH_2^+、C_5H_<10>NH_2^+和C_6H_<12>NH_2^+离子进行了分子轨道计算(从头算和DFT-HF法)。测定了阳离子在稳定态和过渡态的构象及其电能。制备了(C_5H_<10>NH_2) PF_6、(C_4H_8NH_2) PF_6和(C_4H_8NH_2) ClO_4,并进行了^1H、^2H、^<19>F、^<31>P和^<35>Cl的NMR、x射线粉末衍射和热分析(DTA和DSC)。发现了固-固转变,并对其温度和焓变进行了计算。测定了C_5H_<10>NH_2^+和C_4H_8NH_2^+离子在固相中的运动态。制备了(C_4H_8NH_2O)(C_6HCl_2O_4),并在室温下用单晶x射线衍射测定了其晶体结构。C_4H_8NH_2O^+离子的构象和涉及N-H的氢键构型。O和O- h…测定了晶体中的O型氢键。
英文摘要
A_2MCl_6 complexes (A=C_4H_8NH_2, C_5H_<10>NH_2, C_6H_<12>NH_2 ; M=Sn, Te, Pt) were prepared and their crystal structures at room temperature were determined by single crystal X-ray diffraction. Measurements of ^1H NMR, ^<35>Cl NQR and thermal analysis (DTA and DSC) were made for (C_4H_8NH_2)_2MCl_6. The conformation of C_4H_8NH_2^+ ion, the motions of the cation and the anion, and the mechanism of the solid-solid phase transition were investigated. Solid-solid transitions were found in (C_5H_<10>NH_2)_2MCl_6 and (C_6H_<12>NH_2)_2MCl_6 from thermal analysis and their temperatures and enthalpy changes were evaluated.Molecular orbital calculations (ab initio and DFT-HF methods) were carried out for isolated C_4H_8NH_2^+, C_5H_<10>NH_2^+, and C_6H_<12>NH_2^+ ions. Conformations in stable and transition state and their electric energies were determined for the cations.(C_5H_<10>NH_2) PF_6, (C_4H_8NH_2) PF_6, and (C_4H_8NH_2) ClO_4 were prepared and measurements of ^1H, ^2H, ^<19>F, ^<31>P, and ^<35>Cl NMR, X-ray powder diffraction, and thermal analysis (DTA and DSC) were carried out. Solid-solid transitions were found and their temperatures and enthalpy changes were evaluated. Motional states of C_5H_<10>NH_2^+ and C_4H_8NH_2^+ ions in the solid phases were determined.(C_4H_8NH_2O)(C_6HCl_2O_4) was prepared and the crystal structure was determined at room temperature by single crystal X-ray diffraction. The conformation of C_4H_8NH_2O^+ ion and the hydrogen-bond scheme involving N-H...O and O-H...O type hydrogen bonds in the crystal were determined.
期刊论文(92)
专著(0)
科研奖励(0)
会议论文
Hiroyuki Ishida: "^1H and ^<19>F NMR Studies on Molecular Motions in Two Solid Phases of t-Butylammonium Tetrafluoroborate"Z.Naturforsch.. 53a. 796-800 (1998)
Hiroyuki Ishida:“叔丁基四氟硼酸铵两种固相中分子运动的^ 1 H和^ 19 F NMR研究”Z.Naturforsch.. 53a。
DOI: --
发表时间:
期刊:
影响因子: --
作者: []
通讯作者:
T.Nihei: "Hydrogen Transfer in Hydrogen-bonded Chloranilic Acid Studied by ^<35>Cl NQR I-a 1 : 2 Complex with 1, 4-Diazine-"Chem.Phys.Lett.. 329. 7-14 (2000)
T.Nihei:“通过 ^35>Cl NQR I-a 1:2 与 1, 4-二嗪复合物研究的氢键氯苯甲酸中的氢转移-”Chem.Phys.Lett.. 329. 7-14 (2000)
DOI: --
发表时间:
期刊:
影响因子: --
作者: []
通讯作者:
Hiroshi Ono: "Ionic Plastic Phase in Piperidinium Hexafluorophosphote stadied by NMR,X-ray Diffraction,and Thermal Measurements" Ber.Bunsenges.Phys.Chem.102. 650-655 (1998)
Hiroshi Ono:“通过 NMR、X 射线衍射和热测量研究六氟磷酸哌啶中的离子塑性相”Ber.Bunsenges.Phys.Chem.102。
DOI: --
发表时间:
期刊:
影响因子: --
作者: []
通讯作者:
H.Ishida: "Pyridinium and 1, 2-Diazinium Salts of Chloranilic Acid"Acta Cryst.. C55. 1149-1152 (1999)
H.Ishida:“氯苯甲酸的吡啶鎓和 1, 2-二嗪鎓盐”Acta Cryst.. C55。
DOI: --
发表时间:
期刊:
影响因子: --
作者: []
通讯作者:
46
    Analysis on short hydrogen-bonded system formed between hetero-atoms
    • 批准号:
      22550013
    • 项目类别:
      Grant-in-Aid for Scientific Research (C)
    • 资助金额:
      $3.08万
    • 财政年份:
      2010
    • 负责人:
      ISHIDA Hiroyuki
    • 依托单位:
    Mechanisms of chloroplast degradation by two-different autophagic pathways in senescent leaves
    • 批准号:
      22780054
    • 项目类别:
      Grant-in-Aid for Young Scientists (B)
    • 资助金额:
      $2.58万
    • 财政年份:
      2010
    • 负责人:
      ISHIDA Hiroyuki
    • 依托单位:
    Molecular genetic analysis of Rubisco degradation to maintain leafphotosynthesis
    • 批准号:
      20780044
    • 项目类别:
      Grant-in-Aid for Young Scientists (B)
    • 资助金额:
      $2.75万
    • 财政年份:
      2008
    • 负责人:
      ISHIDA Hiroyuki
    • 依托单位:
    An ingenious strategy for plant survival : Degradation of chloroplast proteins via autophagy and RCB vesicles
    • 批准号:
      20200061
    • 项目类别:
      Grant-in-Aid for Scientific Research on Innovative Areas (Research a proposed research project)
    • 资助金额:
      $19.88万
    • 财政年份:
      2008
    • 负责人:
      ISHIDA Hiroyuki
    • 依托单位:
    海外基金