Study on the Photoinduced Isomerization Mechanism of Hydrazone Derivatives Molecular Switch DOI Creative Commons
Xiaojuan Pang,

Kaiyue Zhao,

Chenghao Yang

и другие.

ACS Omega, Год журнала: 2025, Номер unknown

Опубликована: Апрель 23, 2025

Improving quantum yield is an important characteristic for enhancing the operational efficiency of light-driven molecular motors. Building upon Cigan et al.'s pioneering work on CH3 substitution H (RSC Adv., 2015, 5, 62449), we have developed a structural modification strategy hydrazone-based switches through replacement single oxygen atom with two hydrogen atoms, resulting in remarkable enhancement yield. We systematically investigate photoinduced isomerization mechanism hydrazone derivatives switch using Tully's surface hopping method semiempirical OM2/MRCI level. The results show that calculated E-to-Z photoisomerization this rotary motor approximately (55 ± 3)% (16.01% original (Pang, X.-J.; Zhao, K.-Y.; He, H.-Y.; Zhang, N.-B.; Jiang, C.-W. Photoinduced isatin N2-diphenylhydrazones switch. Acta Phys. Sin. 2024, 73 (17).) average lifetime excited state 122 fs. Additionally, calculate time-dependent fluorescence emission spectra and observe redshift wavelength accompanied by quenching, which shows blue shift compared to N2-diphenylhydrazone spectrum. Furthermore, propose may not "dark state".

Язык: Английский

Study on the Photoinduced Isomerization Mechanism of Hydrazone Derivatives Molecular Switch DOI Creative Commons
Xiaojuan Pang,

Kaiyue Zhao,

Chenghao Yang

и другие.

ACS Omega, Год журнала: 2025, Номер unknown

Опубликована: Апрель 23, 2025

Improving quantum yield is an important characteristic for enhancing the operational efficiency of light-driven molecular motors. Building upon Cigan et al.'s pioneering work on CH3 substitution H (RSC Adv., 2015, 5, 62449), we have developed a structural modification strategy hydrazone-based switches through replacement single oxygen atom with two hydrogen atoms, resulting in remarkable enhancement yield. We systematically investigate photoinduced isomerization mechanism hydrazone derivatives switch using Tully's surface hopping method semiempirical OM2/MRCI level. The results show that calculated E-to-Z photoisomerization this rotary motor approximately (55 ± 3)% (16.01% original (Pang, X.-J.; Zhao, K.-Y.; He, H.-Y.; Zhang, N.-B.; Jiang, C.-W. Photoinduced isatin N2-diphenylhydrazones switch. Acta Phys. Sin. 2024, 73 (17).) average lifetime excited state 122 fs. Additionally, calculate time-dependent fluorescence emission spectra and observe redshift wavelength accompanied by quenching, which shows blue shift compared to N2-diphenylhydrazone spectrum. Furthermore, propose may not "dark state".

Язык: Английский

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