carbon dioxide propane hydrate II type

• 分子结构分类: 有机化合物 - 有机氧化合物 - 有机氧化物
• 英文名称: carbon dioxide propane hydrate II type
• 英文别名: carbon dioxide hydrate I type；carbon dioxide hydrate；paraformaldehyde；polyacrilic acid；cellulose；methane;molecular hydrogen;hydrate
• 化学式: CHO
• 分子量: 36.074
• InChiKey: PPRODYXLFUJKBA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.06
• 重原子数：
  2.0
• 可旋转键数：
  0.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  31.5
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  carbon dioxide propane hydrate II type 以 neat (no solvent) 为溶剂， 生成 甲烷
  参考文献：
  名称：

  Kipling, J. J.; Sherwood, J. N.; Shooter, P. V., Carbon, 1963, vol. 1, p. 315 - 320

  摘要：

  DOI：
• 作为产物：
  描述：

  graphite 在 KClO₃ 、 HNO₃ 作用下， 以 硝酸 为溶剂， 生成 carbon dioxide propane hydrate II type
  参考文献：
  名称：

  氧化石墨热解制备碳的电化学锂化

  摘要：

  通过在 1 M LiClO 4 -碳酸亚丙酯溶液中对锂离子电池的阳极充电，进行在不同温度下氧化石墨热解获得的碳的电化学锂化。这些碳的 d(002) 值在 0.404 到 0.333 nm 之间的很宽范围内变化，并且它们的氢和氧含量非常低。在第一次充电过程中，当电位达到 10 mV vs. Li/Li + 时，在 700°C 以下形成的碳的电化学锂化导致 X 射线衍射峰位于约 2θ = 18° 的非常低的角度。这种行为表明锂物质在由氧化石墨形成的热解碳通道中组装为双层。这些锂化碳的黑色表明碳-锂键具有显着的共价特性，并且即使在 0.6 V vs. Li/Li + 下也能形成这种键合。另一方面，当使用在 900°C 以上制备的碳作为主体材料时，获得了第一阶段的插锂碳。这导致这些样品的锂可逆嵌入-脱嵌，并且在 950°C 下获得的样品的不可逆容量最小。对于在 1000°C 以上获得的碳，可以清楚地观察到大约

  DOI：

  10.1149/1.1391883

文献信息

• Pyruvate imine cobalt(III) complex as a reagent for metal encapsulation
  作者：Bohdan Korybut-Daszkiewicz、Richard M. Hartshorn、A. M. Sargeson

  DOI：10.1039/c39890001375

  日期：——

  A cobalt(III) complex of pyruvate imine has been shown to be an effective nucleophile in condensing with formaldehyde and Co(sen)3+ ion [sen = tris(4-amino-2-azabutyl)-1-ethane] to synthesise a functionalised sarcophagine type cage (sarcophagine = 3,6,10,13,16-hexa-azabicyclo[6.6.6]eicosane) for a cobalt(III) ion.

  丙酮酸亚胺的钴（III）配合物已被证明是一种有效的亲核试剂，可与甲醛和Co（sen）3+离子[sen =三（4-氨基-2-氮杂丁基）-1-乙烷]缩合。功能化的石棺型笼子（石棺= 3,6,10,13,16-六氮杂双环[6.6.6]二十烷）用于钴（III）离子。
• Lau, Cheuk K.; Williams, Haydn W. R.; Tardiff, Sylvie, Canadian Journal of Chemistry, 1989, vol. 67, p. 1384 - 1387
  作者：Lau, Cheuk K.、Williams, Haydn W. R.、Tardiff, Sylvie、Dufresne, Claude、Scheigetz, John、Belanger, Patrice C.

  DOI：——

  日期：——
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Ti: MVol., 5.6.3, page 299 - 312
  作者：

  DOI：——

  日期：——
• Kipling, J. J.; Sherwood, J. N.; Shooter, P. V., Carbon, 1963, vol. 1, p. 321 - 328
  作者：Kipling, J. J.、Sherwood, J. N.、Shooter, P. V.、Thompson, N. R.

  DOI：——

  日期：——
• Structure and Guest Distribution of the Mixed Carbon Dioxide and Nitrogen Hydrates As Revealed by X-ray Diffraction and ¹³C NMR Spectroscopy
  作者：Yu-Taek Seo、Huen Lee

  DOI：10.1021/jp0351371

  日期：2004.1.1

  In this contribution, X-ray diffraction and C-13 NMR spectroscopy were used to identify structure and guest distribution of the mixed N-2 + CO2 hydrates. X-ray diffraction results of the mixed N-2 + CO2 hydrates confirmed that the unit cell parameter was similar to11.8 Angstrom over the gas mixture composition range of 3-20 mol % CO2 and the formed hydrates were identified as structure I. When the composition of the gas mixture was reduced to 1 mol % CO2, the structure of the mixed hydrate was transformed to structure II showing the unit cell parameter of 17.26(2) Angstrom. C-13 cross-polarization (CP) NMR spectroscopy was used to examine the distribution of carbon dioxide molecules in small 5(12) and large 5(12)6(2) cages of structure I. From NMR spectra of the mixed N-2 + CO2 hydrate formed from gas mixture of 20 and 10 MOl % CO2, powder patterns having chemical shift anisotropy of -54.5 and -53.8 ppm were observed, respectively. There was no clear isotropic line indicating carbon dioxide molecules in the small 5(12) cages of structure I. These NMR spectra showed that the carbon dioxide molecules occupied mainly the large 5(12)6(2) cages of structure I when the mixed N-2 + CO2 hydrate was formed at a vapor-phase composition range of 10-20 mol % CO2. In addition, from the analysis of the gases collected from a dissociating hydrate sample, the amount of carbon dioxide in the mixed N-2 + CO2 hydrates increased greatly with a small increase of carbon dioxide in the vapor phase. Accordingly, the carbon dioxide molecules seemed to occupy both the small and large cages of structure I above the vapor-phase composition of 33.3 mol % CO2.