Search for a Small Chromophore with Efficient Singlet Fission: Biradicaloid Heterocycles
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, cilt.134, sa.35, ss.14624-14631, 2012 (SCI-Expanded, Scopus)
- Yayın Türü: Makale / Tam Makale
- Cilt numarası: 134 Sayı: 35
- Basım Tarihi: 2012
- Doi Numarası: 10.1021/ja3063327
- Dergi Adı: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
- Sayfa Sayıları: ss.14624-14631
- Orta Doğu Teknik Üniversitesi Adresli: Evet
Özet
Of the five small biradicaloid heterocycles whose S-1, S-2, T-1, and T-2 adiabatic excitation energies were examined by the CASPT2/ANO-L-VTZP method, two have been found to meet the state energy criterion for efficient e singlet fission and are recommended to the attention of synthetic chemists and photophysicists.