METAL ATOM CLUSTERS IN OXIDE SYSTEMS
METAL ATOM CLUSTERS IN OXIDE SYSTEMS
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DOI：
10.1021/ic50019a003
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发表时间：
1964-01-01
影响因子：
4.6
通讯作者：
COTTON, FA
中科院分区：
文献类型：
--
作者：
COTTON, FA
由McCarroll、Katz和Ward早些时候描述的Mii2Mo308型化合物包含金属原子团簇Mo3Oi3。在本文中，我们用LCAO-MO方法对这些原子进行了处理，该方法与以前对其他金属原子团簇的处理方法类似。得到的分子轨道能量模式令人满意地解释了金属与金属之间的强成键和没有未配对电子的存在。此外，利用轨道能量模式，可以对其他可能是等结构的混合金属氧化物作出一些预测，并对钼蓝的性质提出了建议。
Compounds of the type Mii2Mo308, described earlierby McCarroll, Katz, and Ward, contain metal atom clusters, Mo3Oi3. In this paper, these are treated by an LCAO-MO method similar to that used previously for other metal atom clusters. The pattern of molecular orbital energies which is obtained accounts satisfactorily for the strong metal-to-metal bonding and the absence of unpaired electrons. Moreover, using the orbital energy pattern, a number of predictions can be made of other mixed metal oxides which might be isostructural, and a suggestion is made regarding the nature ofmolybdenum blue.