silver n-hexanethiolate | 4081-53-2

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 英文名称: silver n-hexanethiolate
• 英文别名: silver hexanethiolate；Silver;hexane-1-thiolate；silver;hexane-1-thiolate
• CAS: 4081-53-2
• 化学式: Ag*C₆H₁₃S
• 分子量: 225.103
• InChiKey: JUNWHUCYSKRAQK-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  2.11
• 重原子数：
  8
• 可旋转键数：
  4
• 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：

  trans-(4-n-decyloxybenzyliden-N-C6H4(n-decyloxy))2-(μ-Cl)2-dipalladium 、 silver n-hexanethiolate 以 二氯甲烷 为溶剂， 生成 Pd2(acetato)(S(CH2)5(CH3))(C33H50NO2)2
  参考文献：
  名称：

  Mesogenic Dinuclear Cyclopalladated Derivatives with Mixed Bridges – Crystal Structure ofcis-[Bis({4,4′-di-n-butoxy}benzylideneaniline-C2,N)(μ-n-butylthiolato)(μ-chloro)dipalladium(II)]

  摘要：

  DOI：

  10.1002/(sici)1099-0682(199809)1998:9<1235::aid-ejic1235>3.0.co;2-9
• 作为产物：
  描述：

  1-己硫醇 、 silver nitrate 在 triethylamine 作用下， 以 乙腈 为溶剂， 生成 silver n-hexanethiolate
  参考文献：
  名称：

  Dance, Ian G.; Fisher, Keith J.; Herath Banda, Inorganic Chemistry, 1991, vol. 30, # 2, p. 183 - 187

  摘要：

  DOI：

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

  DOI：——

  日期：——
• Mesogenic behavior of silver thiolates with layered structure in the solid state: covalent soaps
  作者：Maria J. Baena、Pablo Espinet、M. Carmen Lequerica、Anne Marie Levelut

  DOI：10.1021/ja00037a021

  日期：1992.5

  The family of primary silver thiolate compounds AgSCnH2n+1 (n = 4, 6, 8, 10, 12, 16, and 18), which in the solid state consist of infinity 2[AgSR] layers with the R substituents extending perpendicular to both sides of a central slab of Ag and S atoms, behave as thermotropic liquid crystals. On heating they display successively lamellar (smectic A), cubic, and micellar mesophases; the range of appearance of the two former phases decreases with increasing length of R, so that for n greater-than-or-equal-to 12 only the micellar phase is observed on melting. X-ray diffraction studies on the lamellar phase for n = 6 reveal a packing rather similar to that found in the solid. For n = 18, X-ray diffraction shows that the micellar phase is a hexagonal columnar mesophase, which is understood as being the result of a rearrangement of the solid-state structure to form (AgSR)8 cyclic structures behaving as micelles.
• Characterization of Chain Molecular Assemblies in Long-Chain, Layered Silver Thiolates:  A Joint Infrared Spectroscopy and X-ray Diffraction Study
  作者：A. N. Parikh、S. D. Gillmor、J. D. Beers、K. M. Beardmore、R. W. Cutts、B. I. Swanson

  DOI：10.1021/jp983938b

  日期：1999.4.1

  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.
• Alignment of Palladium Complexes into Columnar Liquid Crystals Driven by Peripheral Triphenylene Substituents
  作者：Emiliano Tritto、Rubén Chico、Gerardo Sanz-Enguita、César L. Folcia、Josu Ortega、Silverio Coco、Pablo Espinet

  DOI：10.1021/ic402886t

  日期：2014.4.7

  A new triphenylene-imine (ImH) and its ortho-palladated complexes (mu-X)(2)[Pd(2)Im(2)] (X = CH3COO-, Cl-, Br-), (mu-Cl)(mu-SCnH2n+1)[Pd(2)Im(2)] (n = 6, 12), [PdIm(acac)] [PdImCl(CNC6H4OC12H25)], [PdImCl(CNC6H3(OC12H25)(2))], and [PdImCl(CNC6H2(OC12H25)(3))] have been prepared. The free imine ligand is not a liquid crystal, but most ortho-metalated dinuclear palladium complexes and the mononuclear trialkoxyphenyl isocyanide derivative display columnar mesophases at temperatures close to ambient. For the dimeric complexes the mesophase obtained is always columnar rectangular (Col(r)), with an uncommon structure: the dimeric triphenylene-Pd complex-triphenylene molecules give rise to a triple-column stacking consisting of two columns of stacked triphenylene groups connected to a central column formed by stacking of two ortho-palladated dimeric moieties. For the trialkoxyphenyl isocyanide derivative a related polymer-like arrangement of columns alternating stacking of triphenylenes with stacking of two ortho-palladated dimeric moieties is found. The mesophase structure is columnar oblique (Col(ob)). The free imine and all palladium complexes exhibit fluorescence at room temperature in dichloromethane solution, associated with the triphenylene core.