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Updated: May 25, 2025

On-line Analysis of Nitrogen Containing Compounds in Complex Hydrocarbon Matrixes
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皮里丁的XPS:一个结合的理论和实验分析分析

Paul S Bagus1, Connie J Nelin2, Michel Sassi3

  • 1Department of Chemistry, University of North Texas, Denton, Texas 76203-5017, USA.

The Journal of chemical physics
|February 26, 2025
PubMed
概括

这项研究比较了X射线光电谱 (XPS) 测量与pyridine的理论预测. 优秀的协议验证了使用计算方法通过XPS分析分子电子结构.

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Heterocyclic amines, where the N atom is a part of an alicyclic system, are similar in basicity to alkylamines. Interestingly, the heterocyclic amine having a nitrogen atom as part of an aromatic ring has much less basicity than its corresponding alicyclic counterpart. For this reason, as presented in Figure 1, piperidine (pKb = 2.8) is significantly more basic than pyridine (pKb = 8.8).
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Cycloheptatriene is a neutral monocyclic unsaturated hydrocarbon that consists of an odd number of carbon atoms and an intervening sp3 carbon in the ring. The three double bonds in the ring correspond to 6 π electrons, which is a Huckel number, and therefore satisfies the criteria of 4n + 2 π electrons. However, the intervening sp3 carbon disrupts the continuous overlap of p orbitals. As a result, cycloheptatriene is not aromatic.
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