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The research aims to explore the photochemical reaction mechanisms and chiral preferences in 4,4'-azopyridine under different excitations.

Excited-state-dependent chiral pathways in the photoisomerization of cis -4,4′-azopyridine

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Simulations reveal excited-state-dependent chiral pathways in azopyridine, suggesting new design strategies for materials.

The research aims to explore the photochemical reaction mechanisms and chiral preferences in 4,4'-azopyridine under different excitations.
Performed surface-hopping simulations at the SA3-CASSCF(6,6)/6-31G level.
Investigated excited-state dynamics of P- and M-helical cis isomers.
Assessed quantum yields and lifetimes of trans isomers compared with cis-azobenzene.
Both S1 and S2 excitations drive photoisomerization along the N-N torsional path.
Cis conformers maintain a pure chiral decay pathway under S1 excitation.
S2 excitation utilizes a helicity-mixed channel with a ratio of 92% to 8%.

Gao et al. (2026) studied this question.

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View Full Paper

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Authors

Simulations reveal excited-state-dependent chiral pathways in azopyridine, suggesting new design strategies for materials.

The research aims to explore the photochemical reaction mechanisms and chiral preferences in 4,4'-azopyridine under different excitations.
Performed surface-hopping simulations at the SA3-CASSCF(6,6)/6-31G level.
Investigated excited-state dynamics of P- and M-helical cis isomers.
Assessed quantum yields and lifetimes of trans isomers compared with cis-azobenzene.
Both S1 and S2 excitations drive photoisomerization along the N-N torsional path.
Cis conformers maintain a pure chiral decay pathway under S1 excitation.
S2 excitation utilizes a helicity-mixed channel with a ratio of 92% to 8%.

Gao et al. (2026) studied this question.

View Full Paper

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Bookmark