C2N2 异构体的结构和稳定性

doi:10.14139/i.cnki.cn22-1228.2024.02.015

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摘要

采用高精度量子力学计算方法研究 C₂N₂分子体系基态精确的电子结构，构建其异构化势能面，分析其反应机制。获得的研究结果有助于今后 C₂N₂ 及其相关分子的星际探测和实验室制备。

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	杨　雪
	张　跃
	赫明威

关键词: C2N2 异构体结构稳定性

Abstract:

The precise electronic structure of the ground state of C,N, molecular system is studied by high-precision quantum mechanical calculation method, its isomerization potential energy surface is constructed, andits reaction mechanism is analyzed.The obtained results are helpful to the interstellar exploration and laboratorypreparation of C,N,and its related molecules in the future.

Key words: C₂N₂ isomer structure stability

发布日期: 2024-04-25

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引用本文:

杨　雪 , 张　跃, 赫明威. C₂N₂ 异构体的结构和稳定性 [J]. 大学物理实验, 2024, 37(2): 70-74.
YANG Xue, ZHANG Yue, HE Mingwei. Structure and Stability of C₂N₂ lsomer . Physical Experiment of College, 2024, 37(2): 70-74.

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http://dawushiyan.jlict.edu.cn/CN/10.14139/i.cnki.cn22-1228.2024.02.015 或 http://dawushiyan.jlict.edu.cn/CN/Y2024/V37/I2/70

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