silver(I) methanethiolate | 105771-13-9

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 英文名称: silver(I) methanethiolate
• 英文别名: Ag(methyl sulfide)；AgSMe；silver salt of methylmercaptan；Silver;methanethiolate；silver;methanethiolate
• CAS: 105771-13-9
• 化学式: CH₃AgS
• 分子量: 154.969
• InChiKey: YYUDCBSZFBQZDO-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.16
• 重原子数：
  3
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  silver(I) methanethiolate 生成 silver sulfide 、 二甲基硫
  参考文献：
  名称：

  Klason, P., Berichte der Deutschen Chemischen Gesellschaft, 1887, vol. 20, p. 3407 - 3413

  摘要：

  DOI：
• 作为产物：
  描述：

  甲硫醇 、 silver nitrate 以 甲醇 为溶剂， 生成 silver(I) methanethiolate
  参考文献：
  名称：

  Spectral correlation in the adsorption of aliphatic mercaptans on silver and gold surfaces: Raman spectroscopic and computational study

  摘要：

  Spectral shifts of the nu(CS) vibrations of several aliphatic mercaptans adsorbed on the Ag and Au electrode surfaces were measured with the surface-enhanced Raman scattering. influence of the chemisorption mechanism on the spectral shift was investigated through ab initio quantum mechanical calculation for CH3SH, CH3S-, CH3SNa, and CH3SMn (M = Ag, Au and n = 1-3). It was found that even though the 2e molecular orbital of methanethiolate makes the major contribution to its chemisorption, the 3a(1) orbital is mainly responsible for the nu(CS) spectral shift. Adsorption of thiolates on the roughened Ag electrode surface seems to occur at the multiple sites such as the three-fold hollow sites while the number of the surface Au atoms interacting effectively with thiolates seems to be less than that of the Ag atoms. (C) 1999 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-2860(98)00895-3

文献信息

• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Ag: MVol.B7, 1.20.2.1.1, page 4 - 10
  作者：

  DOI：——

  日期：——
• Spectral correlation in the adsorption of aliphatic mercaptans on silver and gold surfaces: Raman spectroscopic and computational study
  作者：Seung Il Cho、Eun Sun Park、Kwan Kim、Myung Soo Kim

  DOI：10.1016/s0022-2860(98)00895-3

  日期：1999.4

  Spectral shifts of the nu(CS) vibrations of several aliphatic mercaptans adsorbed on the Ag and Au electrode surfaces were measured with the surface-enhanced Raman scattering. influence of the chemisorption mechanism on the spectral shift was investigated through ab initio quantum mechanical calculation for CH3SH, CH3S-, CH3SNa, and CH3SMn (M = Ag, Au and n = 1-3). It was found that even though the 2e molecular orbital of methanethiolate makes the major contribution to its chemisorption, the 3a(1) orbital is mainly responsible for the nu(CS) spectral shift. Adsorption of thiolates on the roughened Ag electrode surface seems to occur at the multiple sites such as the three-fold hollow sites while the number of the surface Au atoms interacting effectively with thiolates seems to be less than that of the Ag atoms. (C) 1999 Elsevier Science B.V. All rights reserved.
• Klason, P., Berichte der Deutschen Chemischen Gesellschaft, 1887, vol. 20, p. 3407 - 3413
  作者：Klason, P.

  DOI：——

  日期：——