biostudies-literatureQiao WEducation Department of Shaanxi ProvinceMinistry of Education of the People&apos;s Republic of ChinaLiaoning ProvinceShaanxi ProvinceDepartment of Education of Liaoning ProvinceNational Natural Science Foundation of China17275-17286https://www.ebi.ac.uk/biostudies/studies/S-EPMC7376895biostudies-literatureUnknown5(28)A series of stilbene derivatives have been constructed by modifying the stilbene systems with different H, CN, NH₂, NMe₂, and NO₂ groups. In a vacuum, it was found that a redshift in the ultraviolet-visible spectrum occurred because of the enhancement of the donor/acceptor capabilities of this group, with the order of redshift being NO₂ > NMe₂ > CN > NH₂ > H. For stilbene molecular systems, the peak of two-photon absorption (TPA) observed in the simulated spectra should be attributed to two transitions that are contributed by two excited states with similar energy. In the case of derivatives, such a transition is separated by energy, and two TPA peaks can be clearly observed (derivatives containing NO₂ and NMe<subACS omegaPhotoinduced Charge Transfer in Push/Pull Systems of Two-Photon Absorption.PMC73768951137435351861145309L2019028XLYC18072669143610217JF0262019KW-027Qiao WMu XDong JPan BDuan GWang JfalsePhotoinduced Charge Transfer in Push/Pull Systems of Two-Photon Absorption.A series of stilbene derivatives have been constructed by modifying the stilbene systems with different H, CN, NH₂, NMe₂, and NO₂ groups. In a vacuum, it was found that a redshift in the ultraviolet-visible spectrum occurred because of the enhancement of the donor/acceptor capabilities of this group, with the order of redshift being NO₂ > NMe₂ > CN > NH₂ > H. For stilbene molecular systems, the peak of two-photon absorption (TPA) observed in the simulated spectra should be attributed to two transitions that are contributed by two excited states with similar energy. In the case of derivatives, such a transition is separated by energy, and two TPA peaks can be clearly observed (derivatives containing NO₂ and NMe<sub2020-01-01T00:00:00Z2020 Jul2025-04-19T11:38:55.904Z2025-04-19T11:38:55.904ZS-EPMC73768953271521310.1021/acsomega.0c01482