Home

Citation: Zihao Liu. Molecular Orbital Theory: Basics and Expansion[J]. University Chemistry, ;2023, 38(5): 335-340. doi: 10.3866/PKU.DXHX202207022 shu

Molecular Orbital Theory: Basics and Expansion

Zihao Liu ^,

Shenzhen Middle School, Shenzhen 518024, Guangdong Province, China

Corresponding author: Zihao Liu, zhliu@shenzhong.net
Received Date: 4 July 2022

Molecular orbital theory is an important chemical bonding theory and also a difficult point in the study of general chemistry. In this article, the problems often encountered by beginners of molecular orbital theory are sorted out and analyzed, and the application of molecular orbital theory is expanded. By tracing the formation and development of the molecular orbital theory, combined with the requirements of the Chemistry Olympiad test questions, summarization and analysis are carried out to deepen the understanding of the molecular orbital theory and promote the teaching of the molecular orbital theory.
- Molecular orbital,
- Electron configuration,
- Energy level diagram,
- Chemical bond
1. [1]
2. [2]
  Werner, K. Angew. Chem. Int. Ed. 1996, 35, 573.
3. [3]
4. [4]
  Robert, S. M. J. Chem. Phys. 1935, 3, 375.
5. [5]
6. [6]
7. [7]
8. [8]
9. [9]
10. [10]
11. [11]
12. [12]
  Catherine, E. H.; Alan, G. S. Inorganic Chemistry, 5th ed.; Pearson:New York, NY, USA, 2018; p. 40.
13. [13]
  Gaty, L. M.; Paul, J. F.; Donald, A. T. Inorganic Chemistry, 5th ed.; Pearson:New York, NY, USA, 2018; p. 117.
14. [14]
  Duward, S.; Mark, W.; Tina, O.; Jonathan, R.; Fraser A. Inorganic Chemistry, 6th ed.; W. H. Freeman and Company:New York, NY, USA, 2014; p. 44.
15. [15]
  Bicelhaupt, F. M.; Nagle, J. K.; Klemm, W. L. J. Phys. Chem. A 2008, 112, 2437.
16. [16]
  Ryan, J. M.; Jarred, J. B.; Mark, N V. W.; Brandon, J. B.; Douglas, A. V. G.; Roger, L D. J. Chem. Educ. 2011, 88, 1094.
17. [17]
  Calculated Data navigation (nist.gov).[2022-09-14]. https://webbook.nist.gov/chemistry/
18. [18]
  Myles, J. D.; Jeffrey, D. S.; Anthony, M. M.; Curtis, E. M.; Arnold, L. R.; Michael, L. M.; Joshua, S. F. Science 2019, 363, 1203.
19. [19]
1. [1]
  Rui Li , Jiayu Zhang , Anyang Li . Two Levels of Understanding of Chemical Bonds: a Case of the Bonding Model of Hypervalent Molecules. University Chemistry, 2024, 39(2): 392-398. doi: 10.3866/PKU.DXHX202308051
2. [2]
  Jiying Liu , Zehua Li , Wenjing Zhang , Donghui Wei . Molecular Orbital and Nucleus-Independent Chemical Shift Calculations for C₆H₆ and B₁₂H₁₂^2-: A Computational Chemistry Experiment. University Chemistry, 2025, 40(3): 186-192. doi: 10.12461/PKU.DXHX202406085
3. [3]
  Jinghan Xu , Yang Wang , Donghui Wei . Drawing Cross-Sectional Contour Maps of π Molecular Orbitals. University Chemistry, 2025, 40(3): 23-29. doi: 10.12461/PKU.DXHX202403023
4. [4]
  Jingwen Wang , Minghao Wu , Xing Zuo , Yaofeng Yuan , Yahao Wang , Xiaoshun Zhou , Jianfeng Yan . Advances in the Application of Electrochemical Regulation in Investigating the Electron Transport Properties of Single-Molecule Junctions. University Chemistry, 2025, 40(3): 291-301. doi: 10.12461/PKU.DXHX202406023
5. [5]
  Jiaxun Wu , Mingde Li , Li Dang . The R eaction of Metal Selenium Complexes with Olefins as a Tutorial Case Study for Analyzing Molecular Orbital Interaction Modes. University Chemistry, 2025, 40(3): 108-115. doi: 10.12461/PKU.DXHX202405098
6. [6]
  Wei Huang , Weiwei Chen , Yongxing Tang . Green Mountains and Blue Waters Spanning Nine Centuries: Decrypting “The Picture of a Thousand Miles of Rivers and Mountains” from a Chemical Perspective. University Chemistry, 2024, 39(9): 189-195. doi: 10.12461/PKU.DXHX202312075
7. [7]
  Jiali CHEN , Guoxiang ZHAO , Yayu YAN , Wanting XIA , Qiaohong LI , Jian ZHANG . Machine learning exploring the adsorption of electronic gases on zeolite molecular sieves. Chinese Journal of Inorganic Chemistry, 2025, 41(1): 155-164. doi: 10.11862/CJIC.20240408
8. [8]
  Yanan Jiang , Yuchen Ma . Brief Discussion on the Electronic Exchange Interaction in Quantum Chemistry Computations. University Chemistry, 2025, 40(3): 10-15. doi: 10.12461/PKU.DXHX202402058
9. [9]
  Yaqin Zheng , Lian Zhuo , Meng Li , Chunying Rong . Enhancing Understanding of the Electronic Effect of Substituents on Benzene Rings Using Quantum Chemistry Calculations. University Chemistry, 2025, 40(3): 193-198. doi: 10.12461/PKU.DXHX202406119
10. [10]
  Jinfu Ma , Hui Lu , Jiandong Wu , Zhongli Zou . Teaching Design of Electrochemical Principles Course Based on “Cognitive Laws”: Kinetics of Electron Transfer Steps. University Chemistry, 2024, 39(3): 174-177. doi: 10.3866/PKU.DXHX202309052
11. [11]
  Cen Zhou , Biqiong Hong , Yiting Chen . Application of Electrochemical Techniques in Supramolecular Chemistry. University Chemistry, 2025, 40(3): 308-317. doi: 10.12461/PKU.DXHX202406086
12. [12]
  Xiangchun Li , Wei Xue , Xu Liu , Wenyong Lai . Research and Practice on the Cultivation of Innovation Ability of Chemistry Graduate Students in Electronic Information Universities: A Case Study of Nanjing University of Posts and Telecommunications. University Chemistry, 2024, 39(6): 55-62. doi: 10.3866/PKU.DXHX202310018
13. [13]
  Laiying Zhang , Yinghuan Wu , Yazi Yu , Yecheng Xu , Haojie Zhang , Weitai Wu . Innovation and Practice of Polymer Chemistry Experiment Teaching for Non-Polymer Major Students of Chemistry: Taking the Synthesis, Solution Property, Optical Performance and Application of Thermo-Sensitive Polymers as an Example. University Chemistry, 2024, 39(4): 213-220. doi: 10.3866/PKU.DXHX202310126
14. [14]
  Jia Yao , Xiaogang Peng . Theory of Macroscopic Molecular Systems: Theoretical Framework of the Physical Chemistry Course in the Chemistry “101 Plan”. University Chemistry, 2024, 39(10): 27-37. doi: 10.12461/PKU.DXHX202408117
15. [15]
  Kai Yang , Gehua Bi , Yong Zhang , Delin Jin , Ziwei Xu , Qian Wang , Lingbao Xing . Comprehensive Polymer Chemistry Experiment Design: Preparation and Characterization of Rigid Polyurethane Foam Materials. University Chemistry, 2024, 39(4): 206-212. doi: 10.3866/PKU.DXHX202308045
16. [16]
  Tengjiao Wang , Tian Cheng , Rongjun Liu , Zeyi Wang , Yuxuan Qiao , An Wang , Peng Li . Conductive Hydrogel-based Flexible Electronic System: Innovative Experimental Design in Flexible Electronics. University Chemistry, 2024, 39(4): 286-295. doi: 10.3866/PKU.DXHX202309094
17. [17]
  Jia Zhou . Constructing Potential Energy Surface of Water Molecule by Quantum Chemistry and Machine Learning: Introduction to a Comprehensive Computational Chemistry Experiment. University Chemistry, 2024, 39(3): 351-358. doi: 10.3866/PKU.DXHX202309060
18. [18]
  Jiarong Feng , Yejie Duan , Chu Chu , Dezhen Xie , Qiu'e Cao , Peng Liu . Preparation and Application of a Streptomycin Molecularly Imprinted Electrochemical Sensor: A Suggested Comprehensive Analytical Chemical Experiment. University Chemistry, 2024, 39(8): 295-305. doi: 10.3866/PKU.DXHX202401016
19. [19]
  Hongyun Liu , Jiarun Li , Xinyi Li , Zhe Liu , Jiaxuan Li , Cong Xiao . Course Ideological and Political Design of a Comprehensive Chemistry Experiment: Constructing a Visual Molecular Logic System Based on Intelligent Hydrogel Film Electrodes. University Chemistry, 2024, 39(2): 227-233. doi: 10.3866/PKU.DXHX202309070
20. [20]
  Shuang Meng , Haixin Long , Zhou Zhou , Meizhu Rong . Inorganic Chemistry Curriculum Design and Implementation of Based on “Stepped-Task Driven + Multi-Dimensional Output” Model: A Case Study on Intermolecular Forces. University Chemistry, 2024, 39(3): 122-131. doi: 10.3866/PKU.DXHX202309008

Get Citation

PDF

XML

Metrics

PDF Downloads(43)
Abstract views(2612)
HTML views(469)

通讯作者: 陈斌, bchen63@163.com

1.
沈阳化工大学材料科学与工程学院沈阳 110142

Address：Zhongguancun North First Street 2,100190 Beijing, PR China Tel: +86-010-82449177-888

DownLoad: Full-Size Img PowerPoint

Return