如何求同核双原子分子的平衡核间距——以H2分子为例

doi:10.3866/PKU.DXHX202310102

University Chemistry ›› 2024, Vol. 39 ›› Issue (7): 386-393.doi: 10.3866/PKU.DXHX202310102

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How to Determine the Equilibrium Bond Distance of Homonuclear Diatomic Molecules: A Case Study of H₂

Yong Shu¹, Xing Chen², Sai Duan³, Rongzhen Liao¹

1 College of Chemistry and Chemical Engineering, Huazhong University of Science and Technology, Wuhan 430074, China;
2 Institute of Molecular Plus, Tianjin University, Tianjin 300072, China;
3 Department of Chemistry, Fudan University, Shanghai 200438, China

Received:2023-10-25 Accepted:2024-01-09 Published:2024-02-20
Contact: Rongzhen Liao E-mail:rongzhen@hust.edu.cn

Abstract

Abstract: The equilibrium nuclear distance is of paramount importance in the study of diatomic molecule properties. It can be obtained through spectroscopic experiments and quantum chemical calculations. The hydrogen molecule (H₂) serves as the simplest diatomic molecule, making it an ideal example to illustrate the determination of equilibrium bond distance in homonuclear diatomic molecules. This paper introduces various spectroscopic experimental methods for measuring the equilibrium bond distance, including Raman spectroscopy, electric-field induced dipole spectroscopy, and quadrupole transition spectroscopy. Furthermore, the historical development of solving the Schrödinger equation for the hydrogen molecule, with specific emphasis on the equilibrium bond distance and bond dissociation energy, is discussed.

Key words: Equilibrium internuclear distance, Bond dissociation energy, Spectroscopic methods, Quantum chemical computations

Yong Shu, Xing Chen, Sai Duan, Rongzhen Liao. How to Determine the Equilibrium Bond Distance of Homonuclear Diatomic Molecules: A Case Study of H₂[J].University Chemistry, 2024, 39(7): 386-393.

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How to Determine the Equilibrium Bond Distance of Homonuclear Diatomic Molecules: A Case Study of H₂

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How to Determine the Equilibrium Bond Distance of Homonuclear Diatomic Molecules: A Case Study of H2

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How to Determine the Equilibrium Bond Distance of Homonuclear Diatomic Molecules: A Case Study of H₂