(butanethiolato)(nitrosyl)(iodo)[tris(3,5-dimethylpyrazolyl)borato]molybdenum | 85215-14-1

• 英文名称: (butanethiolato)(nitrosyl)(iodo)[tris(3,5-dimethylpyrazolyl)borato]molybdenum
• CAS: 85215-14-1
• 化学式: C₁₉H₃₁BIMoN₇OS
• 分子量: 639.223
• InChiKey: JFSOQQFYMPZTCG-UHFFFAOYSA-L

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：

  (butanethiolato)(nitrosyl)(iodo)[tris(3,5-dimethylpyrazolyl)borato]molybdenum 在 CH₃NH₂ 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 以84%的产率得到[Mo(HB(3,5-Me2C3N2H)3)(NO)(SBu(n))(NHMe)]
  参考文献：
  名称：

  亚硝酰基[三（3,5-二甲基吡唑基）硼酸酯]钼的单硫醇和双硫醇，硫醇-单烷基酰胺基和硫醇-烷氧基复合物，以及[Mo {HB（3,5-Me 2 C 3 N 2 H）3 }（NO）I（SC 6 H 11）]

  摘要：

  [Mo {HB（Me 2 pz）3 }（NO）I 2 ]（Me 2 pz = 3,5-二甲基吡唑基）与NaSEt或RSH反应生成[Mo {HB（Me 2 pz）3 }（NO）I（ SR）]（R = Et，Bu n，C 6 H 11，C 16 H 33，CH 2 Ph，Ph和C 6 H 4 Me- p），并用AgO 2 CMe和RSH给出[Mo {HB（Me 2 pz）3 }（NO）（SR）2 ]（R = Bu n或Ph）。[Mo {HB（Me 2 pz）3}带有NHR'的（NO）I（SR）]给出[Mo {HB（Me 2 pz）3 }（NO）（SR）（NHR'）]（R = Bu n或Ph，R'= Me，Et， Pr n或Bu n），先用AgO 2 CMe处理，再用R'OH处理，得到[Mo {HB（Me 2 pz）3 }（NO）（SR）（OR'）]（R = Bu n或Ph，R '= Me或Et）。对[Mo

  DOI：

  10.1039/dt9830000091
• 作为产物：
  描述：

  在 HI 作用下， 以 正庚烷 为溶剂， 生成 (butanethiolato)(nitrosyl)(iodo)[tris(3,5-dimethylpyrazolyl)borato]molybdenum
  参考文献：
  名称：

  亚硝酰基[三（3,5-二甲基吡唑基）硼酸酯]钼的单硫醇和双硫醇，硫醇-单烷基酰胺基和硫醇-烷氧基复合物，以及[Mo {HB（3,5-Me 2 C 3 N 2 H）3 }（NO）I（SC 6 H 11）]

  摘要：

  [Mo {HB（Me 2 pz）3 }（NO）I 2 ]（Me 2 pz = 3,5-二甲基吡唑基）与NaSEt或RSH反应生成[Mo {HB（Me 2 pz）3 }（NO）I（ SR）]（R = Et，Bu n，C 6 H 11，C 16 H 33，CH 2 Ph，Ph和C 6 H 4 Me- p），并用AgO 2 CMe和RSH给出[Mo {HB（Me 2 pz）3 }（NO）（SR）2 ]（R = Bu n或Ph）。[Mo {HB（Me 2 pz）3}带有NHR'的（NO）I（SR）]给出[Mo {HB（Me 2 pz）3 }（NO）（SR）（NHR'）]（R = Bu n或Ph，R'= Me，Et， Pr n或Bu n），先用AgO 2 CMe处理，再用R'OH处理，得到[Mo {HB（Me 2 pz）3 }（NO）（SR）（OR'）]（R = Bu n或Ph，R '= Me或Et）。对[Mo

  DOI：

  10.1039/dt9830000091

文献信息

• Hydrogen-Bonding and Polar Group Effects on Redox Potentials in Mo[HB(Me2pz)3](NO)(SR)2
  作者：Jiong Huang、Robert L. Ostrander、Arnold L. Rheingold、Yiuchong Leung、Marc Anton Walters

  DOI：10.1021/ja00094a036

  日期：1994.7

  A series of Mo thiolate complexes with the formula Mo[HB(Me(2)pz)(3)] (NO)(SR)(2), R = Et (1), Bu(n) (2), CH2CONHCH3 (3), CH2CON(CH3)(2) (4), C2H4CONHCH3 (5), and C2H4CON(CH3)(2) (6), have been studied using the methods of cyclic voltammetry, IR and resonance Raman spectroscopy, and for 3 and 5, X-ray crystallography. The polar groups of the thiolate ligands exert an influence on the redox potentials reflected in the E(1/2) series for the Mo2+/Mo3+ redox couple recorded in CH3CN: 2, -0.960; 1, -0.940; 5, -0.820; 6, -0.750; 4, -0.740; 3, -0.643 V (relative to SCE). The corresponding frequencies for the nu(NO) band increase in the same order: 2, 1658; 1, 1661; 5, 1663; 6, 1664; 4, 1669; 3, 1671 cm(-1), showing a correlation between the redox potential and the nitrosyl frequency. Complex 3 belongs to space group P (1) over bar with a = 10.564(4) Angstrom, b = 12.160(5) Angstrom, c = 12.478(6) Angstrom, alpha = 110.27(3)degrees, beta = 92.64(4)degrees, gamma = 105.96(3)degrees, V = 1427.8(10) Angstrom(3), and Z = 2. Complex 5 belongs to space group P (1) over bar with a = 9.565(8) Angstrom, b = 11.480(9) Angstrom, c = 18.510(20) Angstrom, alpha = 73.35(8)degrees, beta = 77.38(8)degrees, gamma = 88.17(7)degrees, nu = 1899.2(31) Angstrom(3), and Z = 2. Complex 3 exhibits a single intraligand N-H...S hydrogen bond in the solid state, with even more extensive N-H...S bonding evident in solution. By contrast 5 forms an interligand N-H...O hydrogen bond which precludes the formation of N-H...S hydrogen bonds, Within the series of thiolate complexes examined, simple charge-dipole interactions appear to induce redox potential shifts of several hundred millivolts. The largest shift is observed in 3, which forms intraligand hydrogen bonds. These results underscore the likely importance of charge-dipole interactions involving ligated thiolate sulfur in iron-sulfur redox proteins. From this perspective, hydrogen bonding and its effects on redox potential should be viewed in terms of electrostatic influence exerted on the electronic structure of the redox center.