Does the Intersystem Crossing Rate of β-Iodinated Phosphorus Corrole Depend on Iodine Numbers and/or Positions?

Tedy, Annette Mariya; Manna, Arun K

doi:10.1021/acs.jpca.3c05563

Cited by 2 publications

(1 citation statement)

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“…The similar trends are confirmed by the S m , S r , D, and t indexes (Table S11). The different transition properties of singlet and triplet states could favor the large SOC constants between them . To evaluate the nonradiative transition of paired P-analogues, we further calculated the IC rates ( k IC ) using FCclasses3 software.…”

Section: Resultsmentioning

confidence: 99%

Newly Designed Quasi-intrinsic Photosensitizers for Fluorescence Image-Guided Two-Photon Photodynamic Therapy with Type I/II Photoreactions

Cui,

Yuan,

Chen

et al. 2024

J. Med. Chem.

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In this work, a set of quasi-intrinsic photosensitizers are theoretically proposed based on the 2-amino-8-(1′-β-D-2′deoxyribofuranosyl)-imidazo[1,2-α]-1,3,5-triazin-4(8H)-one (P), which could pair with the 6-amino-5-nitro-3-(1′-β-D-2′-deoxyribofuranosyl)-2(1H)-pyridone (Z) and keep the essential structural characters of nucleic acid. It is revealed that the ring expansion and electron-donating/electron-withdrawing substitution bring enhanced two-photon absorption and bright photoluminescence of these monomers, thereby facilitating the selective excitation and tumor localization through fluorescence imaging. However, instead of undergoing radiative transition (S 1 → S 0 ), the base pairing induced fluorescence quenching and rapid intersystem crossing (S 1 → T n ) are observed and characterized by the reduced singlet− triplet energy gaps and large spin−orbit coupling values. To ensure the phototherapeutic properties of the considered base pairs in long-lived T 1 state, we examined the vertical electron affinity as well as vertical ionization potential for production of superoxide anions via Type I photoreaction, and their required T 1 energy (0.98 eV) to generate singlet oxygen 1 O 2 via Type II mechanism.

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Section: Resultsmentioning

confidence: 99%