| 106626-01-1

• CAS: 106626-01-1
• 化学式: KPb₀Se
• 分子量: 219.586
• InChiKey: JXIMQXQLFAIGTP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.48
• 重原子数：
  3.0
• 可旋转键数：
  0.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  、 4,7,13,16,21,24-六氧-1,10-二氮双环[8.8.8]二十六烷 以 乙二胺 为溶剂， 生成 ((4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane)K(+))2Pb2Se3(2-)
  参考文献：
  名称：

  Björgvinsson, Már; Sawyer, Jeffery F.; Schrobilgen, Gary J., Inorganic Chemistry, 1987, vol. 26, # 5, p. 741 - 749

  摘要：

  DOI：
• 作为产物：
  描述：

  lead(II) selenide 、 氢化钾 以 neat (no solvent) 为溶剂， 生成
  参考文献：
  名称：

  Heavy Doping and Band Engineering by Potassium to Improve the Thermoelectric Figure of Merit in p-Type PbTe, PbSe, and PbTe_1–ySe_y

  摘要：

  We present detailed studies of potassium doping in PbTe1-ySey (y = 0, 0.15, 0.25, 0.75, 0.85, 0.95, and 1). It was found that Se increases the doping concentration of K in PbTe as a result of the balance of electronegativity and also lowers the lattice thermal conductivity because of the increased number of point defects. Tuning the composition and carrier concentration to increase the density of states around the Fermi level results in higher Seebeck coefficients for the two valence bands of PbTe1-ySey. Peak thermoelectric figure of merit (ZT) values of similar to 1.6 and similar to 1.7 were obtained for Te-rich K0.02Pb0.98Te0.75Se0.25 us at 773 K and Se-rich K0.02Pb0.98Te0.15Se0.85 at 873 K, respectively. However, the average ZT was higher in Te-rich compositions than in Se-rich compositions, with the best found in K0.02Pb0.98Te0.75Se0.25. Such a result is due to the improved electron transport afforded by heavy K doping with the assistance of Se.

  DOI：

  10.1021/ja301245b

文献信息

• [2,2,2-Crypt-K]₂[Cr₂(CO)₁₀]: the First Dinuclear Metal Decacarbonyl Dianion Structure with an Eclipsed Geometry
  作者：H. Borrmann、A. M. Pirani、G. J. Schrobilgen

  DOI：10.1107/s0108270197004320

  日期：1997.8.15

  Bis[(1,10-diaza-4,7,13,16,21,24-hexaoxabicyclo[8.8.8]hexacosane) potassium(+)] eclipsed-decacarbonyldichromate(Cr-Cr)(2-), [K(C18H36N2O6)](2)[Cr-2(CO)(10)], was obtained from the reaction between the trigonal bipyramidal Pb(2)Ch(3)(2-) anions (Ch = Se, Te) and Cr(CO)(6) in ethylenediamine (en) solvent and in the presence of the macrobicyclic ligand, 2,2,2-crypt. The anion geometry is eclipsed (approximate D-4h point symmetry) and contrasts with the staggered geometry (approximate D-4d point symmetry) observed for the anion in the [2,2,2-crypt-Na](+), DME-solvated K+ (DME is 1,2-dimethoxyethane) and PPN+ PPN+ is bis[bis(triphenylphosphine)iminium]} salts.
• Trigonal Bipyramidal M₂Ch₃²^- (M = Sn, Pb; Ch = S, Se, Te) and TlMTe₃³^- Anions:  Multinuclear Magnetic Resonance, Raman Spectroscopic, and Theoretical Studies, and the X-ray Crystal Structures of (2,2,2-crypt-K⁺)₃TlPbTe₃³^-·2en and (2,2,2-crypt-K⁺)₂Pb₂Ch₃²^-·0.5en (Ch = S, Se)
  作者：Horst Borrmann、Janette Campbell、David A. Dixon、Hélène P. A. Mercier、Ayaaz M. Pirani、Gary J. Schrobilgen

  DOI：10.1021/ic980574t

  日期：1998.12.1

  The series of group 14 metal trigonal bipyramidal anions has been extended to the mixed group 13/group 14 metal TlMTe33- anions (M = Sn, Pb), obtained by the reaction of Tl2M2Te3 and K2Te in en or in en/ethylamine mixtures and a stoichiometric excess of 2,2,2-crypt with respect to Kt. The thallium anions were characterized in solution by Sn-119, Tl-205, Pb-207, and Te-125 NMR spectroscopy. The small magnitudes of the relativistically corrected reduced coupling constants, (1)(KM-Ch)(RC) and (1)(KTl-Ch)(RC), observed for the previously reported MzChj2- (Ch Se, Te) and the TlMTe33- anions are consistent with predominantly p-bonded cages, and this observation is supported by local and nonlocal density functional theory (DFT) calculations. Theory indicates M-M and Tl-M interactions of high s character corresponding to Mayer bond orders of 0.13-0.32. The (KM-M)(RC) and (KTl-M)(RC) couplings are unusually large compared to those of the butterfly-shaped Tl(2)Ch(2)(2-) anions and likely arise from higher M-M and Tl-M bond orders, a larger number of coupling pathways, and smaller M-Ch-M and M-Ch-Tl bond angles. The TlPbTe33- anion has also been structurally characterized by X-ray crystallography in (2,2,2-crypt-K+)(3)TlPbTe33- . 2en [monoclinic system, space group P2(1)/c, Z = 4, a = 15.256(5) Angstrom, b = 26.487(9) Angstrom, c = 20.984(8) Angstrom, and beta = 93.03(3)degrees] along with Pb(2)Ch(3)(2-) (Ch = S, Se) in (2,2,2-crypt K+)(2)Pb(2)Ch(3)(2-). 0.5en [Pb2S32-: triclinic system, space group P (1) over bar, Z = 2, a = 10.189(2) Angstrom, b = 11.329(2) Angstrom, c = 23.194(4) Angstrom, alpha = 95.439(14)degrees, beta = 92.562(14)degrees, and gamma = 90.549(14)degrees; Pb2Se32-: triclinic system, space group P (1) over bar, Z = 2, a 10.187(2) Angstrom, b = 11.403(2) Angstrom, 23.360(6) Angstrom, alpha = 95.26(2)degrees, beta = 92.17(2)degrees, and gamma = 90.89(2)degrees]. Density functional theory calculations show that the experimental structures for the M(2)Ch(3)(2-) and TlPbTe33- anions are true minima and reproduce the experimental bond distances and angles. The vibrational frequencies determined by DFT calculations are in good agreement with those determined by Raman spectroscopy and have been used in their assignment.