[t-Bu(Me)CHNMe3]PF6 | 1363396-11-5

• 英文名称: [t-Bu(Me)CHNMe3]PF6
• CAS: 1363396-11-5
• 化学式: C₉H₂₂N*F₆P
• 分子量: 289.245
• InChiKey: GGXMCVWMRGLFFX-QRPNPIFTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  tetra-n-butylammonium bis(1,3-dithiol-2-thione-4,5-dithiolato)nickelate(III) 、 [t-Bu(Me)CHNMe3]PF6 、 乙腈 以 乙腈 为溶剂， 生成 [(rac)-t-Bu(Me)CHNMe3][Ni(dmit)2]3*2MeCN 2C2H3N*2C6NiS10*C6NiS10(1-)*C9H22N(1+), monoclinic, Pn
  参考文献：
  名称：

  Chiral Conducting Salts of Nickel Dithiolene Complexes

  摘要：

  Conducting and chiral [Ni(dmit)(2)] dithiolene salts were obtained by electrocrystallization of the radical [n-Bu4N][Ni(dmit)(2)] salt in the presence of chiral, enantiopure trimethylammonium cations. Three different cations were investigated, namely, (R)-Ph(Me)HC*-NMe3+, (S)-(Bu-t)(Me)HC*-NMe3+, and (S)-(1-Napht)MeHC*-NMe3+, noted (R)4, (S)-2, and (S)-3. Salts of 1:3 stoichiometry were obtained with (R)-1 and (S)-2, formulated as [(R)-1][Ni(dmit)(2)](3) and [(S)-2][Ni(dmit)(2)](3)center dot(CH3CN)(2). They both crystallize in the P2(1)2(1)2(1) chiral space group, with three crystallographically independent complexes exhibiting different oxidation degrees. Another salt with 2:5 stoichiometry was isolated with (S)-3. The semiconducting character of the three salts (sigma(RT) = 20-30 X 10(-3) S cm(-1)) finds its origin in a strong electron localization, favored by the large number of crystallographically independent [Ni(dmit)2] complexes in these chiral structures and their association into weakly interacting dimeric or trimeric motifs. Racemic salts with the same cations, obtained only with difficulties with the tert-butyl-containing (rac)-2 cation, afforded similar trimerized structures. The observed unusual stoichiometry and strong charge localization is tentatively assigned to the size and anisotropic charge distribution of the cations.

  DOI：

  10.1021/ic300146s
• 作为产物：
  描述：

  trimethyl-(1,2,2-trimethyl-propyl)-ammonium; iodide 在 hexafluorophosphoric acid 作用下， 以 甲醇 、 水 为溶剂， 生成 [t-Bu(Me)CHNMe3]PF6
  参考文献：
  名称：

  Chiral Conducting Salts of Nickel Dithiolene Complexes

  摘要：

  Conducting and chiral [Ni(dmit)(2)] dithiolene salts were obtained by electrocrystallization of the radical [n-Bu4N][Ni(dmit)(2)] salt in the presence of chiral, enantiopure trimethylammonium cations. Three different cations were investigated, namely, (R)-Ph(Me)HC*-NMe3+, (S)-(Bu-t)(Me)HC*-NMe3+, and (S)-(1-Napht)MeHC*-NMe3+, noted (R)4, (S)-2, and (S)-3. Salts of 1:3 stoichiometry were obtained with (R)-1 and (S)-2, formulated as [(R)-1][Ni(dmit)(2)](3) and [(S)-2][Ni(dmit)(2)](3)center dot(CH3CN)(2). They both crystallize in the P2(1)2(1)2(1) chiral space group, with three crystallographically independent complexes exhibiting different oxidation degrees. Another salt with 2:5 stoichiometry was isolated with (S)-3. The semiconducting character of the three salts (sigma(RT) = 20-30 X 10(-3) S cm(-1)) finds its origin in a strong electron localization, favored by the large number of crystallographically independent [Ni(dmit)2] complexes in these chiral structures and their association into weakly interacting dimeric or trimeric motifs. Racemic salts with the same cations, obtained only with difficulties with the tert-butyl-containing (rac)-2 cation, afforded similar trimerized structures. The observed unusual stoichiometry and strong charge localization is tentatively assigned to the size and anisotropic charge distribution of the cations.

  DOI：

  10.1021/ic300146s