dichloronitridotris(methyldiphenylphosphine)rhenium(V) | 57968-08-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: dichloronitridotris(methyldiphenylphosphine)rhenium(V)
• CAS: 57968-08-8；25398-85-0
• 化学式: C₃₉H₃₉Cl₂NP₃Re
• 分子量: 871.78
• InChiKey: LRINMHRIHQMPDX-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  9.64
• 重原子数：
  46.0
• 可旋转键数：
  6.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  23.79
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  二氯化二硫 、 dichloronitridotris(methyldiphenylphosphine)rhenium(V) 以 二氯甲烷 为溶剂， 以76%的产率得到dichlorotris(methyldiphenylphosphine)(thionitrosyl)rhenium
  参考文献：
  名称：

  Thionitrosyl complexes of molybdenum, rhenium, and osmium

  摘要：

  DOI：

  10.1039/dt9790000001

文献信息

• Reactions of transition-metal nitrido compounds with B(C6F5)3∶ crystal structure of [Re{NB(C6F5)3}(PMe2Ph)(S2CNMe2)2]
  作者：Linda H. Doerrer、Andrew J. Graham、Malcolm L. H. Green

  DOI：10.1039/a805425h

  日期：——

  The transition-metal nitrido complexes [Re(N)(PR3)(S2CNR′2)2] (PR3 = PMe2Ph, R′ = Me; PR3 = PMePh2, R′ = Et 1), [Re(N)(Cl)(PMePh2)2(S2CNMe2)] 2, [Mo(N)(S2CNR2)3] (R = Me or Et) and [NBun4][Os(N)(1,2-S2C6H4)2] reacted with the strong Lewis acid B(C6F5)3 to yield the adducts [ReNB(C6F5)3}(PR3)(S2CNR′2)2] (PR3 = PMe2Ph, R′ = Me 3*; PR3 = PMePh2, R′ = Et 4), [ReNB(C6F5)3}(Cl)(PMePh2)2(S2CNMe2)] 5, [MoNB(C6F5)3}(S2CNR2)3] (R = Me 6 or 7) and [NBun4][OsNB(C6F5)3}(1,2-S2C6H4)2] 8 (* indicates that the compound has been structurally characterised). Reactions of 3, 6 and 8 with competing strong Lewis bases have revealed differences in the stability of the MN–B interaction depending on the steric crowding around the metal centre. Reaction of 8 with MeO3SCF3 causes the formation of [OsNB(C6F5)3}1,2-(S)(SMe)C6H4}(1,2-S2C6H4)] 9.

  过渡金属氮化物配合物[Re(N)(PR3)(S2CNRâ²2)2]（PR3 = PMe2Ph，Râ²Â = Me；1), [Re(N)(Cl)(PMePh2)2(S2CNMe2)] 2, [Mo(N)(S2CNR2)3] (R = Me or Et) and [NBun4][Os(N)(1、2-S2C6H4)2]与强路易斯酸 B(C6F5)3 反应，生成加合物[ReNB( )3}(PR3)(S2CNRâ²2)2]（PR3 = PMe2Ph，Râ²Â = Me 3*；PR3 = PMePh2，Râ²Â = Et 4）、[ReNB( )3}(Cl)(PMePh2)2(S2CNMe2)] 5、[MoNB( )3}(S2CNR2)3] （R = Me 6 或 7）和 [NBun4][OsNB( )3}(1,2-S2 )2] 8（* 表示化合物已完成结构表征）。3、6 和 8 与竞争性强路易斯碱的反应揭示了 MNâB 相互作用稳定性的差异，这取决于金属中心周围的立体拥挤度。8 与 MeO3SCF3 反应会生成 [OsNB( )3}1,2-(S)(SMe) }(1,2-S2 )] 9。
• Darstellung, Strukturen und EPR-Spektren der Rhenium(II)Thionitrosylkomplexetrans-[Re(NS)Cl3(MePh2P)2] undtrans-[Re(NS)Br3(Me2PhP)2]
  作者：A. Voigt、U. Abram、R. Kirmse

  DOI：10.1002/(sici)1521-3749(199910)625:10<1658::aid-zaac1658>3.0.co;2-r

  日期：1999.10

  The paramagnetic rhenium(II) thionitrosyl compounds trans-[Re(NS)Cl-3(MePh2P)(2)] and trans-[Re(NS)Br-3(Me2PhP)(2)] are characterized by structure diffraction and EPR spectroscopy. Trans-[Re(NS)Cl-3(MePh2P)(2)] is formed during the reduction of (a) [ReNCl2(MePh2P)(3)] with disulphur dichloride or (b) of mer-[ReCl3(MePh2P)(3)] with trithiazyl chloride. Trans-[Re(NS)Br-3(MePh2P)(3)] is the final product of the ligand exchange reaction of mer-[Re(NS)Cl-2(Me2PhP)(3)] with bromine whereby the metal occurred to be simultaneusly oxidized.The crystal structure analyses show for trans-[Re(NS)Cl-3(MePh2P)(2)] (monoclinic, C2/c, a = 13.831(3) Angstrom, b = 13.970(1) Angstrom, c = 14.682(2) Angstrom, beta = 95.33(1), Z = 4) and trans-[Re(NS)Br-3(Me2PhP)(2)] (monoclinic, C2/c, a = 33.292(5) Angstrom, b = 8.697(1) Angstrom, c = 17.495(3) Angstrom, beta = 115.65(1), Z = 8) linear co-ordinated NS ligands (Re-NS-angles 180 degrees and 174.8 degrees). The metal atom is octahedrally co-ordinated with the phosphine ligands in trans position to each other.X-band and Q-band EPR spectra of the rhenium(II) thionitrosyl complexes (5 d(5) "low-spin" configuration, S = 1/2) are detected in the temperature range 295 greater than or equal to T greater than or equal to 130 K. They are characterized by well resolved Re-185,Re-187 hyperfine patterns. The hyperfine parameters are used to get information about the spin-density distribution of the unpaired electron in the complexes under study.