Silver;heptane-1-thiolate | 70247-09-5

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 英文名称: Silver;heptane-1-thiolate
• CAS: 70247-09-5
• 化学式: Ag*C₇H₁₅S
• 分子量: 239.13
• InChiKey: DWPYMGKNAAHFDM-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  9
• 可旋转键数：
  5
• 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：

  1-庚硫醇 、 silver nitrate 在 triethylamine 作用下， 以 乙腈 为溶剂， 生成 Silver;heptane-1-thiolate
  参考文献：
  名称：

  Characterization of Chain Molecular Assemblies in Long-Chain, Layered Silver Thiolates:  A Joint Infrared Spectroscopy and X-ray Diffraction Study

  摘要：

  The first direct characterization of structures of bi-molecular chain assemblies in a self-consistent series of pillared, layered organic-inorganic long-chain silver (n-alkane)thiolates, (AgS(CH2)(n)CH3; n = 5, 6, 9, 11, 15, and 17), is reported using the combined application of infrared transmission spectroscopy and powder X-ray diffraction. The structural attributes elucidated:include quantitative estimates of average chain orientation, chain conformation, chain-chain translational order, interpenetration of the contiguous layers, as well as void characteristics in the chain matrix. The evidence presented here establishes that the layered chain assemblies sandwiched between the inorganic Ag-S backbones in a double-layer arrangement are comprised of an ordered packing of all-trans-extended chains. The average chain in each assembly is oriented vertically away from the quasi-hexagonal Ag-S lattice, in a two-dimensional pseudo-monoclinic arrangement of domains of 60-70 translationally correlated chains. Small interpenetration between the contiguous layers leads to the formation of regularly spaced 1D channels or corridors. The three-dimensional network of 1D channels alternates between the chain layers. All the chain structural characteristics deduced here are, in good conformity with those implied in the model proposed earlier by Dance and co-workers. The present results, together with the previous X-ray analysis for comparable short-chain AgSRs, are used to propose a two-step, hierarchical self-assembly mechanism for the:formation of silver (n-alkyl) thiolates. It is proposed that the primary self-assembly process involves the organization of Ag+ and RS- species into puckered sheets of quasi-hexagonally symmetric 2D lattices, with the chain substituents extending on each side. The subsequent self-assembly of these 2D building blocks in the third dimension via complementary stacking appears to complete the formation of sandwiched bimolecular chain assemblies.

  DOI：

  10.1021/jp983938b

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。
• The self-assembly of a layered material: metal-alkanethiolate bilayers
  作者：F. Bensebaa、T.H. Ellis、E. Kruus、R. Voicu、Y. Zhou

  DOI：10.1139/cjc-76-11-1654

  日期：——

  Layered materials composed of metal-alkanethiolate units have been synthesized and characterized. The self-assembly occurs at the interface between a metal-ion-containing aqueous phase and an alkanethiol-containing organic phase. Key features of the structure have been determined from X-ray diffraction and infrared spectroscopy measurements. The highly ordered bilayers are characterized by tilted, all-trans alkyl chains. A new model for the inplane structure has been presented, which is based on a hexagonal arrangement of metal atoms in the central plane.