Universidade Federal de Uberlândia, Instituto de Química, Laboratório de Fotoquímica e Ciência de Materiais, P.O. Box 593, CEP 38400-902, Uberlândia, Minas Gerais, Brazil.
Spectrochim Acta A Mol Biomol Spectrosc. 2013 Nov;115:610-6. doi: 10.1016/j.saa.2013.06.087. Epub 2013 Jul 3.
The steady state and time resolved experiments together with absorption and emission spectroscopies and quantum chemical calculations have been employed to investigate spectroscopic properties of a xanthone-type compound (ethyl 3,12-dioxopyran[3,2-a]xanthone-2-carboxylate). The spectroscopic data show good agreement with results obtained from quantum chemical calculations. Additionally, this compound shows expressive quantum efficiency for triplet population and a quantum efficiency of singlet oxygen generation very close to unity. Correlations between the nature of singlet and triplet excited states and spectroscopic properties were performed in order to understand the high quantum efficiency of singlet oxygen generation by this compound.
采用稳态和时间分辨实验以及吸收和发射光谱学和量子化学计算研究了一种蒽酮类化合物（乙基 3,12-二氧代吡喃[3,2-a]蒽酮-2-羧酸酯）的光谱性质。光谱数据与量子化学计算结果吻合较好。此外，该化合物对三重态的生成具有很高的量子效率，且单线态氧的生成量子效率非常接近 1。为了理解该化合物产生单线态氧的高量子效率，对单重态和三重态激发态的性质与光谱性质之间的相关性进行了研究。
