carbon oxide oxide-17O | 22377-27-1

• 分子结构分类: 无机化合物 - 均质非金属化合物 - 其他非金属有机物
• 英文名称: carbon oxide oxide-17O
• CAS: 22377-27-1
• 化学式: CO₂
• 分子量: 45.0104
• InChiKey: CURLTUGMZLYLDI-VQEHIDDOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.58
• 重原子数：
  3.0
• 可旋转键数：
  0.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  34.14
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  氦气 、 carbon oxide oxide-17O 以 gas 为溶剂， 生成
  参考文献：
  名称：

  Fourier transform microwave spectra of the very weakly bound He–CO 2 dimer

  摘要：

  Spectra of pure rotational transitions of the very weakly bound He-CO2 van der Waals complex were investigated using a pulsed molecular beam Fourier Transform microwave spectrometer. The complex exhibits very large amplitude internal vibrational motions and the rotational transitions were, as a consequence, difficult to locate and to assign. Eight isotopomers, namely He-CO2, He-(CO2)-C-13, He-(OCO)-O-18, He-(OCO)-C-13-O-18, He-(OCO)-O-18-O-18, He-(OCO)-O-18-C-13-O-18, He-(OCO)-O-17, and He-(OCO)-C-13-O-17, Were studied in order to establish the assignments. The hyperfine structures due to the quadrupolar O-17 nucleus were resolved and analyzed in the two O-17 containing isotopomers. The observed nuclear quadrupole hyperfine structures not only provide further confirmation for the assignment but also give new information about the angular anisotropy of the He-CO2 interaction potential. (C) 2001 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-2860(01)00853-5
• 作为产物：
  描述：

  二氧化碳 、 氧-17原子 以 neat (no solvent) 为溶剂， 生成 carbon oxide oxide-17O
  参考文献：
  名称：

  Fourier transform microwave spectra of the very weakly bound He–CO 2 dimer

  摘要：

  Spectra of pure rotational transitions of the very weakly bound He-CO2 van der Waals complex were investigated using a pulsed molecular beam Fourier Transform microwave spectrometer. The complex exhibits very large amplitude internal vibrational motions and the rotational transitions were, as a consequence, difficult to locate and to assign. Eight isotopomers, namely He-CO2, He-(CO2)-C-13, He-(OCO)-O-18, He-(OCO)-C-13-O-18, He-(OCO)-O-18-O-18, He-(OCO)-O-18-C-13-O-18, He-(OCO)-O-17, and He-(OCO)-C-13-O-17, Were studied in order to establish the assignments. The hyperfine structures due to the quadrupolar O-17 nucleus were resolved and analyzed in the two O-17 containing isotopomers. The observed nuclear quadrupole hyperfine structures not only provide further confirmation for the assignment but also give new information about the angular anisotropy of the He-CO2 interaction potential. (C) 2001 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-2860(01)00853-5

文献信息

• Tris(pyrazolyl)hydroboratozinc hydroxide complexes as functional models for carbonic anhydrase: on the nature of the bicarbonate intermediate
  作者：Adrian Looney、Runyu Han、Kristopher McNeill、Gerard Parkin

  DOI：10.1021/ja00064a033

  日期：1993.6

  The reactions of (CO2 With the zinc hydroxide complexes eta3-HB(3-But-5-MePZ)3}ZnOH (3-But-5-Mepz = 3-But-5-MeC3N2H) and eta3-HB(3,5-Pri2pz)3}ZnOH (3,5-Pri2pz = 3,5-Pri2C3N2H), which are proposed to be structural models for the active site of the enzyme carbonic anhydrase, have been investigated. The hydroxide eta3-HB(3-But-5-Mepz)3}ZnOH reacts immediately with CO2 to give a bicarbonate complex eta3-HB(3-But-5-Mepz)3}Zn(OCO2H) that has been characterized by IR spectroscopy. H-1 NMR studies reveal that the reaction with CO2 is rapid and reversible on the NMR time scale at room temperature. A subsequent slower transformation involves the formation of the carbonate complex [eta3-HB(3-But-5-MePZ)3}Zn]2(mu-eta1,eta1-CO3), in which the carbonate ligand bridges the two zinc centers with a symmetric unidentate coordination mode. In contrast, the corresponding reaction of the less sterically encumbered hydroxide eta3-HB(3,5-Pri2pz)3}ZnOH rapidly gives the carbonate complex [eta3-HB(3,5-Pri2pzZ)3}Zn]2(mu-eta1,eta2-CO3), in which the carbonate ligand bridges the two zinc centers in an asymmetric manner and is unidentate to one zinc center but bidentate to the other. Eta3-HB(3-But-5-MePZ)3}ZnOH is also a functional model for carbonic anhydrase, since it effectively catalyzes the exchange of oxygen atoms between CO2 and (H2O)-O-17. Structural and reactivity studies on the unidentate and bidentate carbonate complexes, together with structural studies on a series of nitrate complexes, suggest that facile access to a unidentate bicarbonate species may be a critical factor for carbonic anhydrase activity.
• Fourier transform microwave spectra of the very weakly bound He–CO 2 dimer
  作者：Yunjie Xu、Wolfgang Jäger

  DOI：10.1016/s0022-2860(01)00853-5

  日期：2001.12

  Spectra of pure rotational transitions of the very weakly bound He-CO2 van der Waals complex were investigated using a pulsed molecular beam Fourier Transform microwave spectrometer. The complex exhibits very large amplitude internal vibrational motions and the rotational transitions were, as a consequence, difficult to locate and to assign. Eight isotopomers, namely He-CO2, He-(CO2)-C-13, He-(OCO)-O-18, He-(OCO)-C-13-O-18, He-(OCO)-O-18-O-18, He-(OCO)-O-18-C-13-O-18, He-(OCO)-O-17, and He-(OCO)-C-13-O-17, Were studied in order to establish the assignments. The hyperfine structures due to the quadrupolar O-17 nucleus were resolved and analyzed in the two O-17 containing isotopomers. The observed nuclear quadrupole hyperfine structures not only provide further confirmation for the assignment but also give new information about the angular anisotropy of the He-CO2 interaction potential. (C) 2001 Elsevier Science B.V. All rights reserved.