Iridium--scandium (1/1) | 12030-53-4

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 英文名称: Iridium--scandium (1/1)
• 英文别名: iridium;scandium
• CAS: 12030-53-4
• 化学式: IrSc
• 分子量: 237.176
• InChiKey: JWZJOUVAKLVAPX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.01
• 重原子数：
  2
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  氢化钪 、 铱 以 neat (no solvent) 为溶剂， 生成 Iridium--scandium (1/1)
  参考文献：
  名称：

  Standard enthalpies of formation of scandium alloys, Sc+Me (MeFe, Co, Ni, Ru, Rh, Pd, Ir, Pt), by high-temperature calorimetry

  摘要：

  The standard enthalpies of formation of scandium alloys, Sc+Me (Me=Fe, Co, Ni, Ru, Rh, Pd, Ir, Pt) were determined by direct synthesis calorimetry at 1473 +/- 2K. The following values of DELTA(f)H(m)-degrees/(kJ g atom-1) are reported: Fe2SC, -(11.2 +/- 1.2); Co2Sc, -(32.5 +/- 2.1); CoSc2, -(26.7 +/- 1.9); Ni2SC, -(43.0 +/- 2.3); NiSc, -(44.7 +/- 2.3); RuSc, -(44.5 +/- 2.2); Rh3SC, -(51.7 +/- 1.4); RhSc, -(94.5 +/- 1.5); PdSc, -(89.3 +/- 2.2); IrSc, -(89.7 +/- 3.0); lr2SC, -(66.3 +/- 1.3); PtSc, -(104.8 +/- 5.4). The results are compared with predicted values, and with earlier data for some of the corresponding yttrium and titanium alloys.

  DOI：

  10.1016/0925-8388(93)90287-w

文献信息

• Syntheses, Crystal Structures, and Magnetic Properties of Sc₁₉Br₂₈Z₄ Compounds with Z = Mn, Fe, Ru, or Os. Structural and Bonding Trends in R₁₆X₂₀Z₄-Type Oligomers
  作者：Sharon J. Steinwand、John D. Corbett、James D. Martin

  DOI：10.1021/ic970881j

  日期：1997.12.1

  The title compounds are obtained from reactions of the appropriate proportions of Sc, ScBr3, and elemental Z in sealed Nb tubing at 800--900 degrees C. The structures with Z = Mn, Ru, Os were established by single crystal means to be Sc-deficient examples of the Gd4I84+(Gd16I20Mn44-) structure (cubic P(4) over bar3$ m, Z = 1, a = 10.941(9), 10.9897(5), 11.0032(3) Angstrom) with 3.6(1), 3.0(1), and 2.9(1) scandium atoms in the tetrahedral cation portion, respectively. The cation deficiency with Z = Ru, Os affords 61-electron Sc(16)Br(20)Z(4) oligomeric units relative to the closed-shell expectation of 60 e(-). The dimensions, proportions, and bond orders in the Sc(16)Br(20)Z(4) oligomers (Sq symmetry) are compared with those in the four yttrium and one gadolinium examples previously known in this or other structure types. The Sc-Mn combination again displays the longest Sc-Z distances. A systematic breathing distortion of R(16)X(20)Z(4) clusters that increases in the order Y-I, Y-Br, Sc-Br(Ru,Os,Ir) to Sc-Br-Mn and Gd-I-Mn parallels many other comparisons. Extended Huckel MO calculations show these variations depend not only on relative atom sizes but also on appreciable variations in orbital energies and the resulting R-Z mixing in the frontier cluster orbitals (Kockerling and Martin, unpublished). Unusual variations in the magnetic susceptibilities of the Ru, Os examples over the range of 6-300 K are shown to be fit very well by a model based on a Boltzmann distribution of the odd electron between close-lying frontier al and tl orbitals with a temperature-dependent energy separation.
• The scandium-iridium phase diagram
  作者：V.N. Yeremenko、V.G. Khorujaya、P.S. Martsenyuk

  DOI：10.1016/0925-8388(94)90075-2

  日期：1994.2

  The constitutional diagram of the Sc-Ir system is investigated for the first time. Using metallography, X-ray diffraction, microprobe and differential thermal analysis data as well as alloy melting point data measured according to the Piruny-Altertoom method, seven intermediate phases - ScIr, (Cu3Au-type structure), ScIr2 (MgCu2), ScIr (CSCl), Sc2Ir (Ti2Ni), Sc11Ir4 (Zr11OS4), Sc57Ir13 (SC57Rh13) and Sc44Ir7 (Mg44Rh7) - were determined in the system, two of them, namely Sc2Ir and ScIr3, being ascertained for the first time. The SCIr2, ScIr, Sc11Ir4, and Sr57Ir13 phases melt congruently at 2150, 2100, 1410 and 1480-degrees-C respectively, while ScIr3, SC2Ir and SC44Ir7 melt incongruently at 1980, 1420 and 1420-degrees-C respectively. Coordinates of eutectic and eutectoid points are determined.