氰乙炔与亚甲醚反应的产物通道

IF 0.7 4区物理与天体物理 Q4 PHYSICS, MULTIDISCIPLINARY

Bulletin of the Lebedev Physics Institute Pub Date : 2025-07-28 DOI:10.3103/S1068335625600068

L. I. Krikunova, M. M. Evseev, D. P. Porfiriev, V. N. Azyazov

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引用次数: 0

摘要

本文报道了氰乙炔HCCCN与甲基乙炔CH反应的量子化学研究结果。在势能面上找到了局部极值，并确定了能量上最有利的反应途径。该机制预测了线性分子优势的环状和非环状产物的形成。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

Product Channels of the Reaction of Cyanoacetylene with Methylidyne

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Product Channels of the Reaction of Cyanoacetylene with Methylidyne

The results of a quantum-chemical study of the reaction of cyanoacetylene HCCCN with the methylidyne CH are presented. Local extrema on the potential energy surface were found and energetically most favorable reaction pathways were identified. The proposed mechanism predicts the formation of cyclic and acyclic products with predominance of linear molecules.

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来源期刊

Bulletin of the Lebedev Physics Institute PHYSICS, MULTIDISCIPLINARY-

CiteScore

0.70

自引率

25.00%

发文量

审稿时长

6-12 weeks

期刊介绍： Bulletin of the Lebedev Physics Institute is an international peer reviewed journal that publishes results of new original experimental and theoretical studies on all topics of physics: theoretical physics; atomic and molecular physics; nuclear physics; optics; lasers; condensed matter; physics of solids; biophysics, and others.