Mo2(μ-S)2(SC2H5)4(PMe3)2 | 507268-06-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: Mo2(μ-S)2(SC2H5)4(PMe3)2
• CAS: 507268-06-6
• 化学式: C₁₄H₃₈Mo₂P₂S₆
• 分子量: 652.679
• InChiKey: MJWQZIWCRASELD-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  4.92
• 重原子数：
  24.0
• 可旋转键数：
  10.0
• 环数：
  2.0
• 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：
  6.0

反应信息

• 作为反应物：
  描述：

  Mo2(μ-S)2(SC2H5)4(PMe3)2 、 乙硫醇 、 三甲基膦 以 乙腈 为溶剂， 以0%的产率得到二乙基二硫醚
  参考文献：
  名称：

  Aggregation of PMe₃-Stabilized Molybdenum Sulfides and the Catalytic Dehydrogenation of H₂S

  摘要：

  The reactivity Of [MoS4](2-) (1) toward PMe3 was explored in the presence and absence of proton donors. Whereas MeCN solutions of (Et4N)(2)[MoS4] and PMe3 are stable, in the presence of H2S such solutions catalyze formation of H-2 and SPMe3. Addition of NH4+ to such solutions afforded MoS2(PMe3)(4) (2), which can be prepared directly from (NH4)(2)[1]. Compound 2 is reactive toward thiols via a process proposed to involve the initial dissociation of one PMe3 ligand, a hypothesis supported by the relative inertness of trans-MoS2(dmpe)(2). Benzene solutions of 2 react with EtSH to give Mo-2(mu-S)(mu-SH)(PMe3)(4)(SEt)(3) (3Et). Analogous reactions with thiocresol (MeC6H4SH) and H2S gave Mo-2(mu-S)(mu-SH)(PMe3)(4)(SR)(3) (R = tol, H). Crystallographic analyses of 3Et, 3H, and 3tol indicate dinuclear species with seven terminal ligands and a Mo-2(mu-SR)(mu-S) core (r(Mo-Mo) = 2.748(1) Angstrom). From reaction mixtures leading to 3Et from 2, we obtained the intermediate Mo-2(IV)(mu-S)(2)(SEt)(4)(PMe3)(2) (4), an edge-shared bis(trigonal pyramidal) structure. Compounds 3H and 3Et react further with H2S to give Mo-4(mu(2)-S)4(mu(3)-S)(2)(PMe3)(6)(SH)(2) (5H) and o(0)4(mu(2)-S)(4)(mu(3)-S)(2)(PMe3)(6)(SEt)(2) (5Et), respectively. Analogously, W-4(mu(2)-S)(4)(mu(3)-S)(2)(PMe3)(6)(SH)(2) was synthesized from a methanol solution of (NH4)(2)WS4 With H2S and PMe3. A highly accurate crystallographic analysis of (NH4)(2)MoS4 (R-1 = 0.0193) indicates several weak NH...S interactions.

  DOI：

  10.1021/ic026215m
• 作为产物：
  描述：

  、 乙硫醇 以 乙腈 为溶剂， 生成 Mo2(μ-S)2(SC2H5)4(PMe3)2
  参考文献：
  名称：

  Aggregation of PMe₃-Stabilized Molybdenum Sulfides and the Catalytic Dehydrogenation of H₂S

  摘要：

  The reactivity Of [MoS4](2-) (1) toward PMe3 was explored in the presence and absence of proton donors. Whereas MeCN solutions of (Et4N)(2)[MoS4] and PMe3 are stable, in the presence of H2S such solutions catalyze formation of H-2 and SPMe3. Addition of NH4+ to such solutions afforded MoS2(PMe3)(4) (2), which can be prepared directly from (NH4)(2)[1]. Compound 2 is reactive toward thiols via a process proposed to involve the initial dissociation of one PMe3 ligand, a hypothesis supported by the relative inertness of trans-MoS2(dmpe)(2). Benzene solutions of 2 react with EtSH to give Mo-2(mu-S)(mu-SH)(PMe3)(4)(SEt)(3) (3Et). Analogous reactions with thiocresol (MeC6H4SH) and H2S gave Mo-2(mu-S)(mu-SH)(PMe3)(4)(SR)(3) (R = tol, H). Crystallographic analyses of 3Et, 3H, and 3tol indicate dinuclear species with seven terminal ligands and a Mo-2(mu-SR)(mu-S) core (r(Mo-Mo) = 2.748(1) Angstrom). From reaction mixtures leading to 3Et from 2, we obtained the intermediate Mo-2(IV)(mu-S)(2)(SEt)(4)(PMe3)(2) (4), an edge-shared bis(trigonal pyramidal) structure. Compounds 3H and 3Et react further with H2S to give Mo-4(mu(2)-S)4(mu(3)-S)(2)(PMe3)(6)(SH)(2) (5H) and o(0)4(mu(2)-S)(4)(mu(3)-S)(2)(PMe3)(6)(SEt)(2) (5Et), respectively. Analogously, W-4(mu(2)-S)(4)(mu(3)-S)(2)(PMe3)(6)(SH)(2) was synthesized from a methanol solution of (NH4)(2)WS4 With H2S and PMe3. A highly accurate crystallographic analysis of (NH4)(2)MoS4 (R-1 = 0.0193) indicates several weak NH...S interactions.

  DOI：

  10.1021/ic026215m