[(triphos)Re(CO)2(η1-P(apical)-P4S3]OTf | 404579-24-4

• 英文名称: [(triphos)Re(CO)2(η1-P(apical)-P4S3]OTf
• 英文别名: [(triphos)Re(CO)2(η1-P(basal)-P4S3]OTf
• CAS: 404579-24-4；404579-22-2
• 化学式: CF₃O₃S*C₄₃H₃₉O₂P₇ReS₃
• 分子量: 1236.07
• InChiKey: SXBNJSJDTCOLBU-IUSLYIAMSA-M

计算性质

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

• 作为反应物：
  描述：

  [Re(η¹-OTf)(CO)2(MeC(CH2PPh2)3)] 、 [(triphos)Re(CO)2(η1-P(apical)-P4S3]OTf 、 [(triphos)Re(CO)2(η1-P(apical)-P4S3]OTf 以 二氯甲烷 为溶剂， 以75%的产率得到[(triphos)Re(CO)2]2(μ,η1:1-P(apical),P(basal)-P4S3](OTf)2
  参考文献：
  名称：

  Unprecedented η¹-P_basal Coordination of P₄X₃ Molecules (X = S, Se). An Experimental and Theoretical Study of the Apical vs Basal Complexation Dichotomy

  摘要：

  Reaction of [(triphos)Re(CO)(2)(OTf)] (1) [triphos = MeC(CH2PPh2)3; OTf = OSO2CF3] with P4S3 and P4Se3 yields pairs of coordination isomers, namely, [(triphos)Re(CO)(2){eta(1)-P-apical-P4X3}](+) (X = S, 2; Se, 5) and [(triphos)Re(CO)(2){eta(1)-P-basai-P4X3}](1) (X = S, 3; Se, 6). The latter represent the first examples of the eta(1)-P-basal, coordination achieved by the P4X3 molecular cage. Further reaction of 2/3 and 5/6 mixtures with I affords the dinuclear species [{(triphos)Re(CO)(2)}(2){mu,eta(1:1)-PapicalPbasalP4X3}](2+) (X = S, 4; Se, 7) in which the unprecedented M-eta(1)-P-basal/eta(1)- bridging coordination of the P4X3 Molecule is accomplished. A theoretical analysis of the bonding properties of the two coordination isomers is also presented. The directionality of apical vs basal phosphorus lone pairs is also discussed in terms of MO arguments.

  DOI：

  10.1021/ic010559f
• 作为产物：
  描述：

  三硫化四磷 、 [Re(η¹-OTf)(CO)2(MeC(CH2PPh2)3)] 以 二氯甲烷 为溶剂， 生成 [(triphos)Re(CO)2(η1-P(apical)-P4S3]OTf 、 [(triphos)Re(CO)2(η1-P(apical)-P4S3]OTf
  参考文献：
  名称：

  Unprecedented η¹-P_basal Coordination of P₄X₃ Molecules (X = S, Se). An Experimental and Theoretical Study of the Apical vs Basal Complexation Dichotomy

  摘要：

  Reaction of [(triphos)Re(CO)(2)(OTf)] (1) [triphos = MeC(CH2PPh2)3; OTf = OSO2CF3] with P4S3 and P4Se3 yields pairs of coordination isomers, namely, [(triphos)Re(CO)(2){eta(1)-P-apical-P4X3}](+) (X = S, 2; Se, 5) and [(triphos)Re(CO)(2){eta(1)-P-basai-P4X3}](1) (X = S, 3; Se, 6). The latter represent the first examples of the eta(1)-P-basal, coordination achieved by the P4X3 molecular cage. Further reaction of 2/3 and 5/6 mixtures with I affords the dinuclear species [{(triphos)Re(CO)(2)}(2){mu,eta(1:1)-PapicalPbasalP4X3}](2+) (X = S, 4; Se, 7) in which the unprecedented M-eta(1)-P-basal/eta(1)- bridging coordination of the P4X3 Molecule is accomplished. A theoretical analysis of the bonding properties of the two coordination isomers is also presented. The directionality of apical vs basal phosphorus lone pairs is also discussed in terms of MO arguments.

  DOI：

  10.1021/ic010559f