Conformations of Cycloalkylammonoium Ions in Crystal
Conformations of Cycloalkylammonoium Ions in Crystal
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
中文摘要
合成了A_2MCl6配合物(A=C_4H_8NH_2,C_5H_<;10>;NH_2,C_6H_<;12>;NH_2;M=锡,Te,铂),并用单晶X射线衍射法测定了它们的室温晶体结构。对(C_4H_8NH_2)_2MCl6进行了~1H核磁共振、~(35&t;35)>;Cl~(NQR)和热分析(DTA和DSC)测定,研究了C_4H_8NH_2~+离子的构象、阳离子和阴离子的运动以及固-固相变机理。用热分析方法研究了(C5H<;10>;NH_2)_2MCl6和(C6H_<;12>;NH_2)_2MCl6的固-固相变,计算了它们的温度和热变。测定了(C_5H_<;10>;NH_2)PF_6、(C_4H_8NH_2)PF_6和(C_4H_8NH_2)ClO_4的稳定和过渡态构象及其电能量,并测定了它们的^1H,^2H,^<;19>;F,^<;31>;P和^<;35>;Cl的核磁共振、X-射线粉末衍射和热分析(DTA和DSC)。发现了固-固相变,并估算了它们的温度和热焓变化。测定了C5H<;10&Gt,NH_2~+和C_4H_8NH_2~+离子在固相中的运动状态,制备了(C_4H_8NH_2O)(C_6HCl_2O_4),并用单晶X射线衍射法测定了其室温晶体结构。确定了C_4H_8NH_2O~+离子的构象和晶体中N-H…O和O-H…O型氢键的氢键方案。
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.
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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。
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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。
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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)
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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。
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作者:
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通讯作者:
T.Nihei: "Hydrogen Transfer in a Hydrogen-Bonded 1:2 Complex of Chloranilic Acid with 1,2-Diazine Studied by ^<35>Cl NQR"Chem.Lett.. 1346-1347 (2000)
T.Nihei:“氯苯甲酸与 1,2-二嗪的氢键 1:2 复合物中的氢转移通过 ^<35>Cl NQR 研究”Chem.Lett.. 1346-1347 (2000)
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共 46 条
Analysis on short hydrogen-bonded system formed between hetero-atoms
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Molecular genetic analysis of Rubisco degradation to maintain leafphotosynthesis
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依托单位:
An ingenious strategy for plant survival : Degradation of chloroplast proteins via autophagy and RCB vesicles
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批准号:20200061
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项目类别:Grant-in-Aid for Scientific Research on Innovative Areas (Research a proposed research project)
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资助金额:$19.88万
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财政年份:2008
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负责人:ISHIDA Hiroyuki
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依托单位:
Hydrogen-bonding structures studied by electron density analysis,X-ray diffraction and magnetic resonance
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批准号:19550018
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项目类别:Grant-in-Aid for Scientific Research (C)
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资助金额:$3.0万
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财政年份:2007
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依托单位:
Mechanism of formation of chiral crystals studied by using induced-chiral molecule as a probe
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批准号:16550014
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项目类别:Grant-in-Aid for Scientific Research (C)
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资助金额:$1.98万
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财政年份:2004
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负责人:ISHIDA Hiroyuki
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依托单位:
Comparative Research for Student's Environmental attitudes in Thailand and Japan and the Practical Co-operation in Environmental Education
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批准号:15500584
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项目类别:Grant-in-Aid for Scientific Research (C)
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资助金额:$2.24万
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财政年份:2003
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负责人:ISHIDA Hiroyuki
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依托单位:
Research Work of Environmental Education in Japan and Thailand
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批准号:11695031
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项目类别:Grant-in-Aid for Scientific Research (B)
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资助金额:$2.05万
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财政年份:1999
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负责人:ISHIDA Hiroyuki
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依托单位:
International Support Project of Science Education in Expanded Education Becoming Compulsory in Thailand
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批准号:10680184
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项目类别:Grant-in-Aid for Scientific Research (C)
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资助金额:$1.73万
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财政年份:1998
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负责人:ISHIDA Hiroyuki
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依托单位:
RESEARCH WORKING ON INTERNATIONAL DIFFERENCES OF EARLIER STEP SCIENTIFIC CONCEPTS BY USING EDUCATIONAL TECHNOLOGICAL METHODS
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负责人:ISHIDA Hiroyuki
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Large Amplitude Libration and Structural Phase Transition
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负责人:ISHIDA Hiroyuki
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依托单位:
海外基金