Synthesis, structure, and bonding of the tetrameric cyclopentadienyliron sulfide monocation, [Fe4(.eta.5-C5H5)4(.mu.3-S)4]+: stereochemical consequences due to oxidation of a cubane-like iron sulfide (Fe4S4) core
Synthesis, structure, and bonding of the tetrameric cyclopentadienyliron sulfide monocation, [Fe4(.eta.5-C5H5)4(.mu.3-S)4]+: stereochemical consequences due to oxidation of a cubane-like iron sulfide (Fe4S4) core
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四聚环戊二烯基铁硫化物单阳离子 [Fe4(eta.5-C5H5)4(mu.3-S)4] 的合成、结构和键合：由于立方烷类硫化铁 (Fe4S4) 氧化而产生的立体化学后果
DOI：
10.1021/ja00444a016
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发表时间：
1977
影响因子：
15
通讯作者：
L. F. Dahl
中科院分区：
文献类型：
--
作者：
T. Toan;W. P. Fehlhammer;L. F. Dahl
结论本文给出了一些尝试性的例子来说明对势面的整体理解的必要性。虽然泰勒定理是众所周知的，但它的含义以前没有被仔细考虑过。分支割网络是多原子势面整体讨论中必须仔细考虑的一种拓扑特征，因为这种网络的存在在一定程度上使描述核运动的绝热近似失效。由于在离切枝奇点很远的地方可能存在反号环，一般不可能给每个核组态指定一个电子波函数，使波函数在核坐标系中是连续的。
ConclusionSome tentative exampleshave been presented to illustrate the need for global understanding of the potential surface. Although the Teller theorem is well-known, its implications have not been carefully considered previously. The network of branch-cuts is a topological feature which must be carefully considered in a global discussion of polyatomic potential sur-faces because the existence of such a network to a certain ex-tent invalidates the adiabatic approximation for describing nuclear motion. Because of the possibility of sign-reversing loops which lie at a great distance from branch-cut singulari-ties, it is generally impossible to assign an electronic wave function to each nuclear configuration in such a way that the wave function is continuous in nuclear coordinates.