Citation: 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. doi: 10.3866/PKU.DXHX202310102 shu

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

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 Date: 25 October 2023
Revised Date: 9 January 2024

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.
- Equilibrium internuclear distance,
- Bond dissociation energy,
- Spectroscopic methods,
- Quantum chemical computations
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通讯作者: 陈斌, bchen63@163.com

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沈阳化工大学材料科学与工程学院沈阳 110142

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

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通讯作者: 陈斌, bchen63@163.com

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