silver(I) propanethiolate | 131252-18-1

• 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) propanethiolate
• 英文别名: Silver;propane-1-thiolate；silver;propane-1-thiolate
• CAS: 131252-18-1
• 化学式: Ag*C₃H₇S
• 分子量: 183.023
• InChiKey: DZUVYPDPYJBWMJ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.94
• 重原子数：
  5
• 可旋转键数：
  1
• 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

• 作为产物：
  描述：

  silver nitrate 、 1-丙烷硫醇钠 以 甲醇 为溶剂， 生成 silver(I) propanethiolate
  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

• XFEL Microcrystallography of Self-Assembling Silver <i>n</i>-Alkanethiolates
  作者：Mariya Aleksich、Daniel W. Paley、Elyse A. Schriber、Will Linthicum、Vanessa Oklejas、David W. Mittan-Moreau、Ryan P. Kelly、Patience A. Kotei、Anita Ghodsi、Raymond G. Sierra、Andrew Aquila、Frédéric Poitevin、Johannes P. Blaschke、Mohammad Vakili、Christopher J. Milne、Fabio Dall’Antonia、Dmitry Khakhulin、Fernando Ardana-Lamas、Frederico Lima、Joana Valerio、Huijong Han、Tamires Gallo、Hazem Yousef、Oleksii Turkot、Ivette J. Bermudez Macias、Thomas Kluyver、Philipp Schmidt、Luca Gelisio、Adam R. Round、Yifeng Jiang、Doriana Vinci、Yohei Uemura、Marco Kloos、Mark Hunter、Adrian P. Mancuso、Bryan D. Huey、Lucas R. Parent、Nicholas K. Sauter、Aaron S. Brewster、J. Nathan Hohman

  DOI：10.1021/jacs.3c02183

  日期：2023.8.9

  all chemical systems are conducive to the isolation of single crystals for traditional characterization. Here, small-molecule serial femtosecond crystallography (smSFX) at atomic resolution (0.833 Å) is employed to characterize microcrystalline silver n-alkanethiolates with various alkyl chain lengths at X-ray free electron laser facilities, resolving long-standing controversies regarding the atomic

  新型合成杂化材料及其日益增加的复杂性对单晶 X 射线衍射分析的晶体生长提出了越来越高的要求。不幸的是，并非所有化学系统都有利于分离单晶以进行传统表征。这里，采用原子分辨率 (0.833 Å) 的小分子系列飞秒晶体学 (smSFX) 在 X 射线自由电子激光设备上表征具有各种烷基链长度的微晶正链烷硫醇银，解决了有关原子连通性的长期争议以及层堆叠的奇偶效应。 smSFX 直接从真正未知的粉末中提供高质量的晶体结构，这一功能对于具有众所周知的小或缺陷晶体的系统特别有用。我们提出了正丁硫醇银 (C4)、正己硫醇银 (C6) 和正壬硫醇银 (C9) 的晶体结构。我们证明奇偶效应源于末端甲基的方向及其在堆积效率中的作用。我们还提出了二次奇偶效应，涉及包含偶数链的晶体中的多个镶嵌块，通过选定区域电子衍射测量来识别。最后，我们讨论了用于制备微衍射样品的合成制剂的优点，并将这些晶体的长程有序与自组装单层的长程有序进行了比较。
• Dance, Ian G.; Fisher, Keith J.; Herath Banda, Inorganic Chemistry, 1991, vol. 30, # 2, p. 183 - 187
  作者：Dance, Ian G.、Fisher, Keith J.、Herath Banda、Scudder, Marcia L.

  DOI：——

  日期：——