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Chinese Journal of Chemical Education  2024, Vol. 45 Issue (2): 116-120    DOI: 10.13884/j.1003-3807hxjy.2023030193
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Quantitative Relationship Between Bonding Parameters and Molecular Vibrational Spectra of the Hydrogen-Bond Donor
ZHANG Ru-Bo*, ZHANG Shao-Wen*
School of Chemistry and Chemical Engineering, Beijing Institute of Technology, Beijing 100081, China
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Abstract  The geometric parameters and vibrational spectra between series of the carbonyl compound/water molecules are obtained through the common quantum chemical calculations to determine the quantitative relationship between the bond length of hydrogen-bond donor and its stretch vibration wavenumber. These exploratory results help students to understand effect of the basicity of the hydrogen-bond acceptor on the covalent bond length of the donor, its stretch vibration and the hydrogen-bond strength. We believe that introduction of this research-based teaching content into secondary school and university could be a good way to enable students to relate the concepts in chemistry, and enhance students' interests in learning chemistry and their ability to solve scientific problems.
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ZHANG Ru-Bo
ZHANG Shao-Wen
Key wordshydrogen-bond strength      donor's basicity      covalent bond length      molecular vibration spectra      computational chemistry     
    
Cite this article:   
ZHANG Ru-Bo, ZHANG Shao-Wen. Quantitative Relationship Between Bonding Parameters and Molecular Vibrational Spectra of the Hydrogen-Bond Donor[J]. Chinese Journal of Chemical Education, 2024, 45(2): 116-120.
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