sulfur | 21459-04-1

• 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: sulfur
• 英文别名: heptathiepane
• CAS: 21459-04-1
• 化学式: S₇
• 分子量: 224.462
• InChiKey: VVNDVBPCYWJYSK-UHFFFAOYSA-N

物化性质

• 密度：
  1.862±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8.1
• 重原子数：
  7
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  177
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  sulfur 在 H₂O₂ 、 (CF₃CO)2O 作用下， 以 二氯甲烷 为溶剂， 以45%的产率得到cycloheptasulfur monoxide
  参考文献：
  名称：

  Steudel, R.; Sandow, T., Angewandte Chemie - International Edition in English, 1976, vol. 15, p. 772 - 773

  摘要：

  DOI：
• 作为产物：
  描述：

  二氯化二硫 、 bis(η-cyclopentadienyl)titana(IV)cyclohexasulfane 生成 sulfur
  参考文献：
  名称：

  Raman Spectrometric Study of the Composition of Sulfur Vapor at Temperatures up to 700°C

  摘要：

  AbstractSulfur vapor has been investigated by Raman spectroscopy in a wide temperature and pressure range (300 to 900°C, 0.05 to 0.5 MPa for overheated vapor and 0.007 to 1.65 MPa for saturated vapor). At least eight different species have been observed through their characteristic Raman lines. Well separated Raman lines have been selected for the observation of the change in vapor composition with temperature: symmetrical bending modes for the cyclic species S8, S7, and S6 and stretching modes for the chain‐like species S3 and S2. There are indications for the presence of two conformational isomers of S4, and in addition a new species has been discovered by its resonance Raman line at 635 cm−1 which is tentatively assigned to chain‐like molecules Sn (n > 4) of helical conformation. Several relationships between the thermodynamic properties of the vapor and the Raman measurements are proposed, e.g., the determination of the temperature at which the molar fraction xi is maximum for the overheated vapor at constant pressure; estimation of the xi/x8 ratios using solution measurements of the Raman cross section for the molecules S8, S7, S6. A careful comparison of these results with the values deduced from Rau's model results in good agreement for the behavior of most of the species apart from S7 which is underestimated in Rau's model. S7 is the dominating species in saturated sulfur vapor above 600 K until S2 takes over at ca. 1000 K.

  DOI：

  10.1002/bbpc.198800210

文献信息

• Siebert, W., Chemiker-Zeitung, 1974, vol. 98, p. 479 - 486
  作者：Siebert, W.

  DOI：——

  日期：——
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: B: B-Verb.9, 5.3.3, page 238 - 244
  作者：

  DOI：——

  日期：——
• Raman, mass, and 77se nmr spectra of sescl2 and its reactions with potassium iodide and titanocene pentasulphide to produce cyclic selenium sulphides
  作者：Ralf Steudel、Bettina Plinke、Detlef Jensen、Frank Baumgart

  DOI：10.1016/s0277-5387(00)81367-4

  日期：1991.1

  Mixing of S2Cl2 and Se2Cl2 at 21-degrees-C results in the formation of SeSCl2 as shown by Se-77 NMR, mass, and Raman spectroscopy. The enthalpy of this reaction has been determined as + 13 kJ mol-1 (S2Cl2), and the equilibrium constant K(c) = 0.066 at 294 K. In addition, the formation of other Se - S - Cl molecules and of SeCl2 is observed. An Se2Cl2-S2Cl2-SeSCl2 mixture (Se:S = 1:1) reacts with titanocene pentasulphide to give mainly S7, SeS6 and 1,2-Se2S5 but small concentrations of six-, eight-, nine- and 12-membered Se - S ring molecules have also been observed. The reaction of Se2Cl2-S2Cl2 mixtures (Se: S = 1:2) with potassium iodide affords 1,2,5-Se3S5 as the major product followed by 1,2-Se2S6, 1,4-Se2S6 and 1,3-Se2S6. HPLC analysis of this reaction shows, however, that selenium sulphide ring molecules of ring sizes 6-8 are formed. Mixing of SCl2 and Se2Cl2 at 21-degrees-C results in precipitation of SeCl4 and formation of S2Cl2, which reacts with Se2Cl2 to give SeSCl2.
• Steudel, Ralf; Jensen, Detlef; Papavassiliou, Maria, Phosphorus, Sulfur and Silicon and the Related Elements, 1989, vol. 41, p. 349 - 354
  作者：Steudel, Ralf、Jensen, Detlef、Papavassiliou, Maria

  DOI：——

  日期：——
• Steudel, Ralf, Phosphorus and Sulfur and the Related Elements, 1985, vol. 23, p. 33 - 64
  作者：Steudel, Ralf

  DOI：——

  日期：——