silver n-butanethiolate | 70247-07-3

• 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-butanethiolate
• 英文别名: silver(I) butanethiolate
• CAS: 70247-07-3
• 化学式: Ag*C₄H₉S
• 分子量: 197.05
• InChiKey: QIEJKXNZWGBBLT-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  1.33
• 重原子数：
  6.0
• 可旋转键数：
  2.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  丁硫醇 、 silver nitrate 以 甲醇 为溶剂， 以>99的产率得到silver n-butanethiolate
  参考文献：
  名称：

  1-丁硫醇在银溶胶中的表面增强拉曼散射

  摘要：

  摘要 在银溶胶中研究了 1-丁硫醇的表面增强拉曼散射 (SERS)。发现该分子通过其 SH 键断裂而化学解离地吸附在银表面上。得出的结论是，1-丁硫醇的构象异构体选择性地吸附在银表面，当分子的体积浓度足以覆盖整个单层时，更可能吸附 C (1)C (2) 轴周围的反式构象异构体。液相中分子的振动分配也已通过使用 SERS 数据进行了改进。

  DOI：

  10.1016/0022-2860(87)80023-6

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：——
• 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.
• 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.
• Synthesis and Second-Order Nonlinear Optical Properties of New Palladium(II) and Platinum(II) Schiff-Base Complexes
  作者：Julio Buey、Silverio Coco、Laura Díez、Pablo Espinet、José M. Martín-Alvarez、Jesús A. Miguel、Santiago García-Granda、Ana Tesouro、Isabelle Ledoux、Joseph Zyss

  DOI：10.1021/om9708900

  日期：1998.4.1

  The second harmonic generations of the dimeric complexes [M-2(mu-X)(mu-SCnH2n+1)(RC6H3CH=NC6H4R')] (M = Pd, Pt; X = Cl, CH3COO, (R)-CH3CHClCOO; R, R' = NO2 and OC8H17 or N(C4H9)(2); n = 4 or 8) and the monomeric complexes [Pd(RC6H3CH=NC6H4R')L] (L = C5H5 (Cp), CH3COCHCOCH3 (acac)) and [Pd(RC6H3CH=NC6H4R')(CNC6H4R")Cl] (R" = NO2, OCnH2n+1, N(CmH2m+1)(2); n = 4 or 8; m = 1 or 4) have been measured, and the influence of the position of donor and acceptor groups is discussed and compared with that of the free imine ligands. The value of the hyperpolarizability (beta) is raised only when a strong donor group is located in the cyclometalated ring. Moreover, the beta value has been enhanced, too, in the cyclopentadienyl monomer complex by as much as 80% with respect to the beta value of the corresponding free imine. The molecular structure of [Pd-3(mu-Cl)(mu-SC4H9)(N(C4H9)(2)C6H3CH=NC6H4NO2] has been determined by an X-ray diffraction analysis.