NARUSE Yuji | ![]() |
Title | Associate Professor |
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Department | Department of Chemistry and Biomolecular Science |
Course | Materials Chemistry Course |
My study is focused on the design of new molecules and reactions based on orbital theory. The electronic theory of organic chemistry is often used to explain the characteristics of molecules and their reactions. This old arrow-pushing scheme is very easy to handle and understand. However, this empirical approach still leaves gaps in our qualitative understanding. More precise and quantitative approaches are needed for tailor-made designs. Today, it can be very easy to perform theoretical calculations with a lap-top computer. Through the use of the concept of a "bond", theoretical and synthetic chemistry can be combined by orbital theory, which enables the rational design of new tailor-made molecules and reactions. Some successful applications include Regioselective deprotonation; Ethylation by methyl ethers; π-relaxation and σ-relaxation in small ring molecules; Design of hypercoordinated molecules; Geminal bond participation; Analysis of the efficacy of imidacloprid; and Axial chirality in spiro molecules.
Reaction mechanism orbital theory main group element chemistry