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首页> 外文期刊>Indian Journal of Chemistry, Section A. Inorganic, Physical, Theoretical & Analytical >Enumeration of non-equivalent carbon atoms in finitely large triangulenes, rhombulenes and related structures
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Enumeration of non-equivalent carbon atoms in finitely large triangulenes, rhombulenes and related structures

机译:有限大三角,菱形和相关结构中非等价碳原子的枚举

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摘要

Simple analytic expressions for the number of non-equivalent carbon atoms (NEC) which is important in counting ~(13)C NMR signals in some classes of polynuclear aromatic hydrocarbons, viz., linear polyacenes, flanked pyrenes, triangulenes and rhombulenes have been deduced using Polya's enumeration theorem (PET) and Balasubramanian's method of reduced cycle indices. Given only a very obvious structural feature of the molecular graph, these analytical expressions directly yield the NEC value and construction of the cycle index and reduced cycle index can be avoided. Moreover, in case of triangulenes NEC has been shown to be obtainable from a flow-chart which is easy to constrct and for rhombulenes NEC has been shown to be obtainable from Pascal's triangle.
机译:推导了非等价碳原子数(NEC)的简单解析表达式,这对于计算某些类型的多核芳烃中的〜(13)C NMR信号非常重要,即线性聚并苯,侧向pyr,三角和菱形。使用Polya枚举定理(PET)和Balasubramanian的简化循环指数方法。仅给出分子图的非常明显的结构特征,这些分析表达式就可以直接得出NEC值,并且可以避免构建循环指数和降低的循环指数。此外,在三角形的情况下,NEC已显示可从易于构建的流程图中获得,对于菱形,NEC已显示可从帕斯卡三角形获得。

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