(nitrogen)(boron)2 | 147071-98-5

• 分子结构分类: 无机化合物 - 混合金属/非金属化合物 - 各种混合金属/非金属
• 英文名称: (nitrogen)(boron)2
• CAS: 147071-98-5
• 化学式: B₂N
• 分子量: 35.6287
• InChiKey: MTFHNAITWDLFMW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.58
• 重原子数：
  3
• 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：
  12.4
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  氮化硼 生成 (nitrogen)(boron)2
  参考文献：
  名称：

  Ding, Hongbin; Morse, Michael D.; Apetrei, Cristina, Journal of Chemical Physics, p. 1 - 7

  摘要：

  DOI：

文献信息

• Reactions of pulsed laser produced boron and nitrogen atoms in a condensing argon stream
  作者：Lester Andrews、Parviz Hassanzadeh、Thomas R. Burkholder、J. M. L. Martin

  DOI：10.1063/1.464256

  日期：1993.1.15

  Reactions of pulsed laser produced B and N atoms at high dilution in argon favored diboron species. At low laser power with minimum radiation, the dominant reaction with N2 gave BBNN (3Π). At higher laser power, reactions of N atoms contributed the B2N (2B2), BNB (2Σu+), NNBN (1Σ+), and BNBN (3Π) species. These new transient molecules were identified from mixed isotopic patterns, isotopic shifts, and ab initio calculations of isotopic spectra.
• Ding, Hongbin; Morse, Michael D.; Apetrei, Cristina, Journal of Chemical Physics, p. 1 - 7
  作者：Ding, Hongbin、Morse, Michael D.、Apetrei, Cristina、Chacaga, Lukasz、Maier, John P.

  DOI：——

  日期：——
• Matrix isolation ESR and theoretical investigations of 11B14N11B and 10B14N11B: laser vaporization generation
  作者：Lon B. Knight、Devon W. Hill、T. J. Kirk、C. A. Arrington

  DOI：10.1021/j100181a012

  日期：1992.1

  The BNB radical has been generated by the laser vaporization of solid boron nitride and isolated in neon, argon, and krypton matrices at 4 K for detailed electron spin resonance (ESR) investigations. These studies indicate that BNB is a significant vapor species above solid boron nitride. The ESR experimental results and theoretical calculations conducted at the CI level show that BNB has an X 2-SIGMA ground electronic state. Calculated nuclear hyperfine interactions (A tensors) for B-11 and N-14 agree closely with the experimental results. A population analysis of the calculated wave function is compared with valence region orbital characters obtained from the commonly applied free atom comparison method used to relate A values to electronic structure. The unpaired electron is located primarily in sp orbitals on each boron atom with only a small amount of spin density on nitrogen. The magnetic parameters for BNB were practically identical in the three different rare gas hosts. The neon results (MHz) at 4 K are g parallel-to = 2.0020 (4), g perpendicular-to = 2.0011 (3); (B-11), A perpendicular-to = 434 (1), A parallel-to = 485 (2); (N-14) \A parallel-to\ less-than-or-equal-to 3, \A perpendicular-to\ = 20 (1).