(dithianitronium)(SbF6) | 145854-67-7

• 英文名称: (dithianitronium)(SbF6)
• CAS: 145854-67-7
• 化学式: F₆Sb*NS₂
• 分子量: 313.879
• InChiKey: UMNWLMYNRYJKKT-UHFFFAOYSA-H

计算性质

• 辛醇/水分配系数(LogP)：
  1.66
• 重原子数：
  10.0
• 可旋转键数：
  0.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  14.1
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  (dithianitronium)(SbF6) 、 1,4-萘醌 以 二氧化硫 为溶剂， 生成 2,7-dicarbonyl naphtho-1,3,2-dithiazolylium antiminium(V)hexafluoride
  参考文献：
  名称：

  Evolution of the pseudo-1,3-dipolar cycloaddition chemistry of SNSMF6(M = As, Sb) leading to 2,5-dihydroxybenzo-1,3,2-dithiazolylium and 2,7-dicarbonylnaphtha-1,3,2-dithiazolylium salts and their corresponding radicals

  摘要：

  我们报告了通过一步量化的环加成反应，将SNSAsF6与1,4-苯醌反应，前所未有地形成了苯环融合的1,3,2-二噻唑鎓盐[AsF6−]。相比之下，SNSSbF6与1,4-萘醌的反应产生了2,7-二羰基萘-1,3,2-二噻唑鎓盐[SbF6−]。这两者都被还原为相应的7π自由基。

  DOI：

  10.1039/b418137a
• 作为产物：
  描述：

  S-chloro-N-(chlorothio)thiohydroxylammonium hexafluorostibate(V) 在 SnCl₂ 作用下， 以 二氧化硫 为溶剂， 以75%的产率得到(dithianitronium)(SbF6)
  参考文献：
  名称：

  A general route to N(SCl)2 + and SNS+ salts

  摘要：

  A 1:3 mixture of (NSCl)3 and AgX (where X is a 'hard' anion) in liquid SO2 act as a convenient source of [SN]X. The reactivity of salts of this SN+ cation towards sulfur and SCl2 has been examined. Reaction of (NSCl)3 with AgX (X = AsF6, SbF6 or CF3SO3) and SCl2 in liquid SO2 gave [N(SCl)2]X in high yield (> 75%). Reduction of these salts with SnCl2 provides a convenient route to the corresponding [SNS]X salts. Replacement of SCl2 by sulfur in the (NSCl)3 + AgCF3SO3 reaction yields only ca. 30% [SNS][CF3SO3]. The other main product is [S6N4][CF3SO3]2 which crystallises in the space group P2(1)/n [Z = 2, a = 8.632(4), b = 10.614(8), c = 8.387(6) angstrom, beta = 90.79(5)-degrees, R = 0.025] and shows similar intermolecular S ... O contacts to [S6N4][ClS2O6]2 [P1BAR, Z = 1, a = 7.689(1), b = 10.726(1), c = 6.614(1) angstrom, alpha = 101.00(2), beta = 114.42(2), gamma = 90.35(2)-degrees, R = 0.031]. The relative reactivities of the different SNS+ salts with PhCN lie in the order AsF6- > SbCl6- > CF3SO3- > SbF6- > AlCl4-. The structure of [PhCNSNS][AsF]6 has been determined: space group P2(1)/a, Z = 4, a = 10.824(5), b = 8.287(2), c = 13.599(3) angstrom, beta = 106.32(4)-degrees, R = 0.055.

  DOI：

  10.1039/dt9920003097
• 作为试剂：
  描述：

  1,3,2,4-benzodithiadiazine 在 (dithianitronium)(SbF6) 作用下， 以 二氯甲烷 为溶剂， 反应 16.0h， 以18%的产率得到1,2,4λ⁴δ²,3,5-benzotrithiadiazepine
  参考文献：
  名称：

  1,3λ4δ2，2,4-苯并二噻二嗪与中性和带电S-亲电试剂的相互作用：SCl 2，C 6 F 5 SCl和NS 2 +

  摘要：

  的1,3λ反应4 δ 2，2,4- benzothiadiazines SCL为2，C 6 ˚F 5 SCL，和[NS 2 ] [的SbF 6 ]导致1,2,3- benzodithiazolium盐（赫茨盐）进行了调查。与SCl 2的相对反应速率显着取决于取代基的性质及其在碳环中的位置。卤素取代基Cl，Br和I减慢了反应的速度，尤其是如果其紧邻杂环（位置5和8）。在C的情况下，6 ˚F 5 SCL和R = H，杂环的碳环和开口的氯化也发生与7-氯1,3λ形成4δ 2，2,4-苯并噻二嗪和C 6 ˚F 5 -S-N = S = N-Ar（气体的Ar = 2-CL-6-F 5 C ^ 6 SC 6 ħ 3）表示。与NS反应2 +，具有杂环的收缩沿，也其扩张与1,2,4λ的形成发生4 δ 2，3,5- benzotrithiadiazepine。

  DOI：

  10.1007/s10593-020-02760-y

文献信息

• NC–(CF2)4–CNSSN˙ containing 1,2,3,5-dithiadiazolyl radical dimer exhibiting triplet excited states at low temperature and thermal hysteresis on melting–solidification: structural, spectroscopic, and magnetic characterization
  作者：Konstantin V. Shuvaev、Andreas Decken、Friedrich Grein、Tareque S. M. Abedin、Laurence K. Thompson、Jack Passmore

  DOI：10.1039/b804699a

  日期：——

  Bleaney-Bowers model in the temperature range 2-300 K with 2J = -1500 +/- 50 cm(-1), g = 2.02(5), rho = 0.90(3)%, and TIP = 1.25(4) x 10(-3) emu mol(-1). The [NC-(CF2)4-CNSSN radical]2 dimer is the second example of a 1,2,3,5-dithiadiazolyl radical dimer with an experimentally detected triplet excited state as probed by solid-state EPR [2J = -1730 +/- 100 cm(-1), |D| = 0.0278(5) cm(-1), |E| = 0.0047(5) cm(-1)]

  据报道，通过还原相应的1,3,2,4-二氮杂二唑盐，可以高产率，一锅法合成1,2,3,5-二硫二唑基NC-（CF2）4-CNSSN。在固态状态下，标题化合物以约2的二聚体Sdelta + ... N（delta-）相互作用以反界面方式二聚。3.2埃，二聚体单元通过静电-C三键N（delta-）... Sdelta +相互作用形成无限链。在固态样品上进行的磁化率测量表明，在300 K时每个二聚体的磁矩为1.8 microB（每个单体为1.3 microB），并且在2-300 K的温度范围内（2J = -1500）与Bleaney-Bowers模型非常吻合+/- 50 cm（-1），g = 2.02（5），rho = 0.90（3）％和TIP = 1.25（4）x 10（-3）emol mol（-1）。[NC-（CF2）4-CNSSN基] 2二聚体是1,2,3的第二个例子，固态EPR探测到的具
• Convenient Preparation and Full Characterization of a Synthetically Useful Salt of the Dithianitronium Cation, SNSSbF₆, from Readily Available Starting Materials
  作者：T. Stanley Cameron、Aaron Mailman、Jack Passmore、Konstantin V. Shuvaev

  DOI：10.1021/ic0483139

  日期：2005.9.1

  The synthetically useful SNSSbF6 is prepared, in good yield, from the reactions of S3N2Cl2 or S3N2Cl3 with stoichiometric amounts of AgSbF6 and S-8 in liquid SO2. SNSSbF6 crystallizes monoclinic in space group C2/m (a = 9.740(2) angstrom, b = 6,644(2) angstrom, c = 5.334(1) angstrom, beta = 90.58(2)degrees Z = 2). The crystal structure was determined by standard methods and refined to R-1 = 0.019 and wR(2) = 0.048. The structure consists of discrete linear centrosymmetric SNS+ cations [S-N = 1.4871(10) angstrom] and almost octahedral SbF6- anions, with weak cation-anion interactions. The lattice energy of SNSSbF6 was determined from the volume-based method as 525 +/- 32 KJ mol(-1) and the heat of formation of SNSSbF6(s) has been estimated as -1566 +/- 24 KJ mol(-1). The FT-IR, Raman, and N-14 NMR spectra are reported, as well as an in situ study of the reaction of S3N2Cl2 with AsF5 in SO2 solution.