Crystal field effects on oxygen in solid methane and the catalysis of spin‐species conversion of methane
Crystal field effects on oxygen in solid methane and the catalysis of spin‐species conversion of methane
复制标题
固体甲烷中氧的晶体场效应及甲烷自旋物种转化的催化
DOI：
10.1063/1.434277
复制
发表时间：
1977
期刊：
影响因子：
--
通讯作者：
K. Pitzer
中科院分区：
文献类型：
--
作者：
Janice J. Kim;K. Pitzer
在立方体对称的晶场中计算了氧分子的能态，该晶场适合于固体甲烷中的替代位置。还计算并讨论了与氧掺杂甲烷的数据有关的结果热容。通过考虑氧的电子自旋与甲烷的质子自旋的偶极-偶极相互作用，讨论了氧对甲烷自旋物种转化的催化作用。矩阵元素是针对甲烷和氧气的低能状态计算的。结果表明，当温度高于0.3°K时，氧是自旋物种转化的有效催化剂，但当温度低于0.3°K时，氧的催化效率会迅速下降。
The energy states are calculated for an oxygen molecule in a crystal field of cubic symmetry that would be appropriate for a substitutional site in solid methane. The resulting heat capacity is also calculated and discussed in relation to data for oxygen‐doped methane. The catalytic effect of oxygen on the spin‐species conversion of methane is treated by consideration of the dipole–dipole interaction of the electron spin of oxygen with the proton spin of methane. The matrix elements are calculated for the low‐energy states of methane and of oxygen. It is found that oxygen should be an effective catalyst for spin‐species conversion above about 0.3°K but that its effectiveness may decrease rapidly below that temperature.