Photophysical Properties of Novel Two-Photon Absorbing Dyes: Assessing Their Possible Use for Singlet Oxygen Generation
Journal of Physical Chemistry C, cilt.122, sa.28, ss.16315-16324, 2018 (SCI-Expanded, Scopus)
- Yayın Türü: Makale / Tam Makale
- Cilt numarası: 122 Sayı: 28
- Basım Tarihi: 2018
- Doi Numarası: 10.1021/acs.jpcc.8b04824
- Dergi Adı: Journal of Physical Chemistry C
- Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
- Sayfa Sayıları: ss.16315-16324
- Boğaziçi Üniversitesi Adresli: Evet
Özet
Herein, we assess the nonlinear absorption properties and the photophysical profile and behavior of two recently synthesized polythiophene-based dyes. In particular, using high level state-of-the-art molecular modeling methodologies, we clearly underline the remarkable two-photon absorption (TPA) cross-section. Furthermore, the possible pathways leading to the intersystem crossing and triplet manifold population are investigated by considering the energy difference between the relevant triplet and singlet states on the potential energy surfaces as the key critical points. The spin-orbit coupling is also assessed, and the results globally point to a possible, albeit probably slow, intersystem crossing that could allow the use of the two dyes as singlet oxygen photosensitizers, for instance in photodynamic therapy, owing to their high TPA cross-sections.