NOVEL TYPE OF AROMATICITY
NOVEL TYPE OF AROMATICITY
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DOI：
10.1038/1811052a0
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发表时间：
1958-01-01
期刊：
影响因子：
64.8
通讯作者：
PADDOCK, NL
中科院分区：
文献类型：
--
作者：
CRAIG, DP;PADDOCK, NL
芳香性和香气的两个概念。六重奏的音符;它们在香气中紧密地结合在一起。但是，我们相信，无论是在理论上，还是在实践中，它们之间的联系都不是一成不变的。我们提出了第二种芳香性理论的大纲，并通过参考单环磷腈氯化物（NPC 12} n）来说明其应用，其中，对于n= 3和4以及可能更高的，肯定显示芳香。哦哈。RA. cter，对六个电子的组没有特别的偏好。拿一个。环2n a. n，一个物种A的n，以及与它们交替的第二物种B的n。设它们的库仑参数为IX。A和rt. B，其共振积分为（，忽略非近邻相互作用。EA. ch A和B具有用于共轭的1 t型轨道。如果A和B a. Re都是碳，或者a. Re为碳和氮，或硼和氮，两个轨道a. re p1t.如果A是碳或氮而B是磷，则可能一个是p1 t而另一个是d1 t。编号为k= 1，2. n循环地，原子B ca. n是给定数k+ 1/2= 3/2，. n+ 1/2。使用最简单类型的分子轨道理论，我们从具有不可约对称性的集合A和B的组合开始开始：
THE two ideas of aromatic character and the aroma. tic sextet a. re closely bound up together in aroma. tic hydrocarbon theory, but their association is not invariable, either in theory or, we believe, in practice. We present an outline of the theory of a second type of aromaticity and illustrate its application by reference to the monocyclic phosphonitrilic chlorides (NPC12} n, which, certainly for n= 3 and 4 and possibly higher, display aroma. tic oha. ra. cter without special preference for a group of six electrons. Take a. ring of 2n a. toms, n of one species A and, alternating with them, n of a second species B. Let their Coulomb para. meters be IX. A and rt. B, and their resonance integral be (,, with non-neighbour interactions neglected. Ea. ch A and B has an orbital of the 1t-type to use in conjugation. If A and B a. re both carbon, or a. re carbon and nitrogen, or boron and nitrogen, both orbitals a. re p1t. If A is carbon or nitrogen and B is phosphorus it is possible that one is p1t and the other d1t.The a. toms A being numbered k= 1, 2... n cyclically, the atoms B ca. n be given the numbers k+ 1/2= 3/2,... n+ 1/2. Using molecular orbital theory of the simplest type, we begin with combinations of the sets A and B with irreducible symmetry: