氧化铌 | 12034-57-0

• 物质功能分类: 无机化工 - 氧化物和过氧化物
• 分子结构分类: 无机化合物 - 混合金属/非金属化合物 - 过渡金属有机体
• 中文名称: 氧化铌
• 中文别名: 五氧化二铌；氧化铌(II)
• 英文名称: niobium oxide
• 英文别名: Niobium(II) oxide；oxoniobium
• CAS: 12034-57-0；12627-00-8
• 化学式: NbO
• 分子量: 108.906
• InChiKey: BFRGSJVXBIWTCF-UHFFFAOYSA-N

物化性质

• 熔点：
  1936°C
• 密度：
  7.3

计算性质

• 辛醇/水分配系数(LogP)：
  -0.12
• 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：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 危险品标志：
  Xi
• 危险类别码：
  R36/37/38
• 安全说明：
  S26,S37/39

反应信息

• 作为反应物：
  描述：

  吡啶-(2-偶氮-4)间苯二酚 、 氧化铌 、 ammonium oxalate 以 水 为溶剂， 生成
  参考文献：
  名称：

  Lobanov, F. I.; Nurtaeva, G. K.; Gibalo, I. M., Russian Journal of Inorganic Chemistry, 1978, vol. 23, p. 543 - 545

  摘要：

  DOI：
• 作为产物：
  描述：

  niobium(V) oxide 在 ammonium sulfate 作用下， 以 硫酸 为溶剂， 生成 氧化铌
  参考文献：
  名称：

  Lobanov, F. I.; Nurtaeva, G. K.; Gibalo, I. M., Russian Journal of Inorganic Chemistry, 1978, vol. 23, p. 543 - 545

  摘要：

  DOI：

文献信息

• Rotational and hyperfine analysis of the C4Σ−-X4Σ− (blue) system of niobium oxide, NbO
  作者：G Cheval、J.-L Femenias、A.J Merer、U Sassenberg

  DOI：10.1016/0022-2852(88)90111-7

  日期：1988.9

  the R 1 , P 1 , R 4 , and P 4 branches, with the 10 hyperfine components of a rotational line spread over more than 0.9 cm −1 in the F 1 branches. The hyperfine linewidths vary considerably with J , in the manner expected for the rapid spin uncoupling from case (a β ) to (b β J ) which occurs in a high-multiplicity state. The very great hyperfine linewidths arise because the sign of the Fermi contact

  摘要 已从高分辨率光栅光谱分析了 NbO 的 C 4 Σ - - X 4 Σ - (0, 0) 带，其 R 头位于 4690 A 附近。两个 4 Σ − 状态都有二阶自旋轨道分裂，4 λ = E( 4 Σ 3 2 )-E( 4 Σ 1 2 ) ，大约 60 cm -1 ，因此它们处于良好的情况 (a)在低 J 处耦合，尽管之前的工作人员将带的出现解释为 4 Σ( b )- 4 Σ( b )。93 Nb 核超精细结构 ( I= 9 2 ) 在 R 1 、P 1 、R 4 和 P 4 分支中非常令人印象深刻，旋转线的 10 个超精细分量分布在超过 0.9 cm -1 的范围内F 1 分行。超精细线宽随 J 变化很大，以从情况 (a β ) 到 (b β J ) 的快速自旋解耦所预期的方式，这种情况发生在高多重态。
• Anomalies in the rotational structure of the optical spectrum of NbO: Evidence for case (a) coupling in the 4Σ− ground state
  作者：J.L Femenias、G Cheval、A.J Merer、U Sassenberg

  DOI：10.1016/0022-2852(87)90146-9

  日期：1987.8

  matrix absorption spectrum for the 6500-A transition (B4Π-X4Σ−), and has explained various puzzling features of the rotational structure of the 4700-A transition (CrΣ−-X4Σ−). The large nuclear spin and magnetic moment of 93Nb produce some very impressive hyperfine effects, particularly since the ground 4Σ− state uncouples rapidly to Hund's case (b) with increasing rotation. Preliminary rotational constants

  摘要 使用光栅和 FT 发射光谱、多普勒限制和亚多普勒激光光谱等实验技术研究了一氧化铌 (NbO) 的可见光谱。已经发现基态（JM Brom、CH Durham 和 W. Weltner（J. Chem. Phys. 61, 970–981 (1974)）的 ESR 工作显示为 4Σ− 4 Σ 3 2 和 4 Σ 1 2 分量之间 62 cm−1 的有序自旋轨道分裂，因此最好用 Hund 的情况 (a) 耦合来描述。这一发现澄清了气相发射光谱之间的关系以及 6500-A 跃迁 (B4Π-X4Σ−) 的低温基质吸收光谱，并解释了 4700-A 跃迁 (CrΣ−-X4Σ−) 旋转结构的各种令人费解的特征。93Nb 的大核自旋和磁矩产生了一些非常令人印象深刻的超精细效应，特别是因为基态 4Σ− 状态随着旋转的增加而迅速与 Hund 的情况 (b) 解耦。给出了 X4Σ− 状态的初步旋转常数。
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Nb: MVol.B1, 102, page 218 - 221
  作者：

  DOI：——

  日期：——
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Nb: MVol.B1, 41, page 86 - 89
  作者：

  DOI：——

  日期：——
• Hyperfine structure in high spin multiplicity electronic states: Analysis of the <i>B</i> ⁴Π–<i>X</i> ⁴Σ⁻ transition of gaseous NbO
  作者：A. G. Adam、Y. Azuma、J. A. Barry、A. J. Merer、U. Sassenberg、J. O. Schröder、G. Cheval、J. L. Féménias

  DOI：10.1063/1.467087

  日期：1994.5

  The (0,0) band of the B 4Π–X 4Σ− transition of NbO, near 6600 Å, has been analyzed from spectra taken at sub-Doppler resolution. The transition is notable for the great width of its Nb nuclear hyperfine structure, which is caused principally by the unpaired 5sσ electron in the ground state interacting with the large magnetic moment of the 4193Nb nucleus (I=9/2). A fit to the ground-state combination differences, including four very precise microwave lines measured by Suenram et al. [J. Mol. Spectrosc. 148, 114 (1991)], has given a comprehensive set of rotational, spin, and hyperfine parameters. Prominent among these are the third-order spin–orbit distortions of the spin-rotation interaction and the Fermi contact interaction, which are large and well determined, reflecting different degrees of spin–orbit contamination of the the 4Σ1/2− and 4Σ3/2− components of the ground state. The δ 2π B 4Π state was hard to fit, for a number of reasons. First, its spin–orbit structure is asymmetric, because of strong perturbations by a 2Π state which has been identified in this work, from among the various weak bands in the NbO spectrum near 7000 Å; the result is that many high order centrifugal distortion terms are needed in an effective Hamiltonian model for the rotation. Second, the hyperfine structure is perturbed, not only by this 2Π state, but by distant Σ and Δ states at higher energy. The δ 2σ* C 4Σ− state at 21 350 cm−1 appears to be one of these. The distant states generate large apparent nuclear spin-rotation interactions, both within and between the Λ components of the Π state, as a result of cross terms between matrix elements of the operators −2BJ⋅L and aI⋅L. Similar cross terms arising from the operators AL⋅S and aI⋅L produce corrections to the Fermi contact matrix elements and are responsible for the unexpected negative sign of the magnetic hyperfine parameter d. The ‘‘off-diagonal’’ quadrupole parameter e2Qq2 is very large, and causes some of the higher J line shapes of the B–X system to be noticeably asymmetric at Doppler limited resolution; its value is consistent with the electron configuration of the B 4Π state being δ 2π.  

表征谱图