A theoretical insight into the deactivating reactions of triplet excited state C-60 by beta-carotene

作者：Ji Hong Fang; Shen Liang^*

来源：Journal of Molecular Structure (Theochem), 2009, 893(1-3): 111-113.

DOI：10.1016/j.theochem.2008.09.037

• C-60
• beta-Carotene
• Triplet excited state
• Deactivating reactions
• Quantum chemical calculations

By means of quantum chemical calculations, the deactivating reactions of triplet excited state C-60 by beta-carotene were explored from the thermodynamic point of view. The solvent effect on the deactivating mechanisms was also discussed. Primarily, the energy transfer from triplet excited state C-60 to beta-carotene is feasible both in benzene and water. Secondly, beta-carotene may also deactivate triplet excited state C-60 through electron transfer from ground state beta-carotene to triplet excited state C-60 or from triplet excited state beta-carotene to triplet excited state C-60 in water, while only the latter pathway is thermodynamically favorable in benzene.

• 出版日期2009-1-15
• 单位山东理工大学; 上海生物信息技术研究中心