monocesium(III) diperoxide | 439863-83-9

• 英文名称: monocesium(III) diperoxide
• CAS: 439863-83-9
• 化学式: CsO₄
• 分子量: 196.903
• InChiKey: BWBAUIMSFNPJFM-UHFFFAOYSA-N

计算性质

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

• 作为产物：
  描述：

  氧气 、 caesium carbonate 以 neat (no solvent) 为溶剂， 生成 monocesium(III) diperoxide 、
  参考文献：
  名称：

  In Search of Covalently Bound Tetra- and Penta-Oxygen Species:  A Photoelectron Spectroscopic and Ab Initio Investigation of MO₄^- and MO₅^- (M = Li, Na, K, Cs)

  摘要：

  Although neutral and ionic O-4(0/-/+) Species have been observed experimentally and considered for energetic materials, O-4(2-) and O-5(2-) dianions have not yet been explored. O-4(2-) is valent isoelectronic to the well-known C\O-3(-) and SO32- anions, and O-5(2-) is valent isoelectronic to C\O-4(-) and SO42-. All are stable, common anions in solutions and inorganic salts. In this article, we explore the possibility of making covalenty bound O-4(2-) and O-5(2-) species stabilized in the forms Of M+O42- and M+O52- (M = Li, Na, K, Cs) in the gas phase. Laser vaporization experiments using M-containing targets and an O-2-seeded carrier gas yielded very intense mass peaks corresponding to MO4- and MO5-. To elucidate the structure and bonding of the newly observed MO4- and MO5- species, we measured their photoelectron spectra and then compared them with ab initio calculations and the spectra of C\O-3(-), Na+SO32-, C\O-4(-), and Na+SO42-. Careful analyses of the experimental and ab initio results showed, however, that the observed species are of the forms, O-2-M-O-2(-) and O-2-M+O3-. The more interesting M+O-4(2-) and M+O52- species were found to be higher-energy isomers, but they are true minima on the potential energy surfaces, which suggests that it might be possible to synthesize bulk materials containing covalently bound tetra- and pentatomic oxygen building blocks.

  DOI：

  10.1021/ja020097k