Interpreting HSAB Theory with Atomic Orbitals of the Central Atoms: Mechanisms and Applications
YANG Xue-Mei1, WANG Zhi-Peng2,3,4*, CHEONG Weng-Chon (Max)5, MA Xin-Yu3, CHEN Maggie2,6, JIANG Zhen-Xiong7,8
1. School of Science, Harbin Institute of Technology (Shenzhen), Shenzhen 518055, China; 2. Division of Genetics, Department of Medicine, Brigham and Women’s Hospital; Department of Biological Chemistry and Molecular Pharmacology, Harvard Medical School, Boston, MA, 02115, USA; 3. Department of Chemistry, Texas A&M University, College Station, TX, 77840, USA; 4. Department of Chemistry, Tsinghua University, Beijing 100084, China; 5. Department of Materials Science and Engineering, Macau University of Science and Technology, Macau 999078, China; 6. Department of Chemistry and Chemical Biology, Harvard University, Boston, MA, 02138, USA; 7. Department of Microbiology, Miami University, Oxford, OH, 45056, USA; 8. Computational Biology and Bioinformatics Program, Duke University, Durham, NC, 27703,USA
Abstract As an important theory in fundamental chemistry, the theoryof hard and soft acid and baseremains unclear in terms of its definition, application range, and explanation during the higher education and in textbooks. In this paper, the frontier molecular orbital theory is utilized to shed light on these unclarities, mainly through a systemic discussion on the outermost shell of the central atoms. Its application range and methodology are also exemplified respectively in detail for better comprehension. In all, this paper is aimed to assist the current fundamental education and relevant research.
YANG Xue-Mei, WANG Zhi-Peng, CHEONG Weng-Chon (Max), MA Xin-Yu, CHEN Maggie, JIANG Zhen-Xiong. Interpreting HSAB Theory with Atomic Orbitals of the Central Atoms: Mechanisms and Applications[J]. Chinese Journal of Chemical Education, 2024, 45(6): 99-107.
