A DFT Study on the Isomerization Mechanism of Azobenzene Derivatives on Silicon Substrate

Lulu Zhang,Caiwei Yue,Lin Zhang,Peihuan Zhang,Luocong Wang,Ming Lei,Min Pu

New Journal of Chemistry（2022）

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摘要

Herein density functional theory (DFT) method was used to study the isomerization mechanism of azobenzenesulfonamide at ωB97XD/6-31G(d) level. The similarities and differences among the isomerization of single- and bi-molecular azobenzenesulfonamide...

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关键词

azobenzene derivatives,isomerization mechanism,silicon

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