| 60635-33-8

• CAS: 60635-33-8
• 化学式: OW
• 分子量: 199.849
• InChiKey: PRJCXLZLFQTCLE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.12
• 重原子数：
  2.0
• 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：
  17.07
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  在 氧气 作用下， 以 gas 为溶剂， 生成 monotungsten(V) dioxide
  参考文献：
  名称：

  第三行过渡金属离子激活甲烷的电子结构考虑

  摘要：

  Methane is spontaneously dehydrogenated in the gas phase by many metal ions of the 5d transition series. In most cases, the MCH2+ produced undergoes further reactions, leading eventually to products such as WC8H16+. The reactivity of the third-row transition-metal ions, both bare and with simple ligands, may be explained in terms of electronic structure considerations. Promotion energy, exchange energy, and the relative and absolute sizes of the valence s and d orbitals all appear to be important.

  DOI：

  10.1021/j100174a057
• 作为产物：
  描述：

  钨 在 氧气 作用下， 以 gas 为溶剂， 生成
  参考文献：
  名称：

  第三行过渡金属离子激活甲烷的电子结构考虑

  摘要：

  Methane is spontaneously dehydrogenated in the gas phase by many metal ions of the 5d transition series. In most cases, the MCH2+ produced undergoes further reactions, leading eventually to products such as WC8H16+. The reactivity of the third-row transition-metal ions, both bare and with simple ligands, may be explained in terms of electronic structure considerations. Promotion energy, exchange energy, and the relative and absolute sizes of the valence s and d orbitals all appear to be important.

  DOI：

  10.1021/j100174a057

文献信息

• Heavy Water Reactions with Atomic Transition-Metal and Main-Group Cations:  Gas Phase Room-Temperature Kinetics and Periodicities in Reactivity
  作者：Ping Cheng、Gregory K. Koyanagi、Diethard K. Bohme

  DOI：10.1021/jp072661p

  日期：2007.9.1

  coefficients and product distributions are reported for the reactions of fourth-row atomic cations from K+ to Se+, of fifth-row atomic cations from Rb+ to Te+ (excluding Tc+), and of sixth-row atomic cations from Cs+ to Bi+. Primary reaction channels were observed leading to O-atom transfer, OD transfer, and D2O addition. O-Atom transfer occurs almost exclusively (>or=90%) in the reactions with most early

  使用感应耦合等离子体/选定离子流管串联质谱仪在室温下在0.35 Torr的氦浴气体中用46种原子金属阳离子测量了重水D（2）O的反应。原子阳离子在约70℃下产生。在ICP源中5500 K，并在反应之前通过与Ar和He原子的碰撞使其辐射衰减并热化。报告了从K +到Se +的第四行原子阳离子，从Rb +到Te +（不包括Tc +）的第五行原子阳离子和从Cs +到Bi +的第六行原子阳离子反应的速率系数和产物分布。观察到主要反应通道导致O原子转移，OD转移和D2O添加。在与大多数早期过渡金属阳离子（Sc +，Ti +，V +，Y +，Zr +，Nb +，Mo +，Hf +，Ta +和W +），并在较小程度上（10％）与一种主族阳离子（As +）结合。观察到OD转移仅在三种阳离子（Sr +，Ba +和La +）下发生。观察到其他阳离子，包括大多数后期跃迁和主族阳离子，仅通过添加D2O即可与D2O缓
• Gas-phase ion—molecule reaction in an RF ion trap. Reactivity of the 5d transition series of metal ions (Lu+, Hf+, Ta+, and W+) with O2
  作者：Yukari Matsuo、Haruka Maeda、Michio Takami

  DOI：10.1016/0009-2614(93)85080-8

  日期：1993.1

  laser plasma of heavy metals have been directly confined in an RF ion trap and subjected to ion—molecule reactions. Trapped metal ions as well as their chemical reaction products have been detected with a quadrupole mass spectrometer. The first four ions of 5d transition series (Lu+, Hf+, Ta+, W+) are found to be highly reactive with O2:Lu+ and Hf+ form monoxide ions whereas Ta+ and W+ first become

  外部产生的重金属激光等离子体中的离子已直接限制在RF离子阱中，并经受离子-分子反应。已用四极质谱仪检测到了被困金属离子及其化学反应产物。发现5d跃迁系列的前四个离子（Lu +，Hf +，Ta +，W +）与O 2高度反应：Lu +和Hf +形成一氧化碳离子，而Ta +和W +首先变成一氧化碳，并稳定为二氧化碳，这与最近的FTICR测量所观察到的反应过程一致。所确定的反应速率随5d电子数量的增加而增加，这与Hf +和W +的FTICR数据相反。讨论了离子热不足对反应速率的影响，可能是这种差异的原因。