Enhancing Triplet Properties of Phthalocyanines with Heavy Atoms: Iodine Substitution or Palladium Complexation?
Inorganic Chemistry, cilt.65, sa.40, ss.23598-23608, 2026 (SCI-Expanded, Scopus)
- Yayın Türü: Makale / Tam Makale
- Cilt numarası: 65 Sayı: 40
- Basım Tarihi: 2026
- Doi Numarası: 10.1021/acs.inorgchem.6c03195
- Dergi Adı: Inorganic Chemistry
- Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Chemical Abstracts Core, Chimica, Compendex, EMBASE, MEDLINE, DIALNET
- Sayfa Sayıları: ss.23598-23608
- Acıbadem Mehmet Ali Aydınlar Üniversitesi Adresli: Evet
Özet
The introduction of heavy atoms onto photosensitizers is a common strategy to enhance their triplet-state properties, yet systematic comparisons between different approaches remain limited. Herein, tetra-iodine substitution and palladium complexation are comparatively evaluated as different heavy-atom strategies to improve the triplet properties and singlet oxygen generation of phthalocyanines. Combined experimental and computational approaches were used to distinguish the respective effects of peripheral tetra-iodination and Zn vs Pd metal complexation. Experimentally, both strategies resulted in significantly similarly higher singlet oxygen quantum yields measured either with the indirect/DPBF method or the direct 1O2 phosphorescence detection method, and complete fluorescence quenching with the palladium complexation. On the other hand, computational spin–orbit coupling analyses using the time-dependent density functional theory reveal that while palladium complexation provides the strongest spin–orbit coupling effects, iodination offers a more balanced improvement between triplet enhancement and experimental accessibility. These findings provide practical guidelines for the rational design of phthalocyanine-based photosensitizers for applications relying on triplet sensitization.