Acetone/Water as a new photoinitiating system for photografting: A theoretical study

作者：Zhao, Aili; Li, Zonghe; Wang, Huiliang^*

来源：Polymer, 2010, 51(9): 2099-2105.

DOI：10.1016/j.polymer.2010.02.050

• Acetone
• Initiation
• Photografting

Acetone can function as a high efficient photoinitiator for photografting copolymerization when it is mixed with water. The initiation mechanism of acetone/water as a new photoinitiating system for photografting copolymerization has been theoretically investigated at the B3LYP/6-31G** level. Acetone exists in the form of hydrates in its aqueous solution. Acetone dihydrate CH3COCH3 center dot 2H(2)O is readily excited to a triplet state (T-1) under UV irradiation (254 nm) and then generates a radical *C3H8O2* involving two single electrons. The photolysis of *C3H8O2* is difficult to occur. However, the hydrogen abstraction from a polymer substrate by the ketonic oxygen of the radical is easier to take place, due to its lower energy requirement. The latter path produces a macromolecular radical that can initiate a photografting reaction easily. The photochemical reactions of acetone dihydrate produce less free radicals, leading to less termination reactions of the growing grafted chains. This study elucidates the photo-initiation mechanism of acetone/water photoinitiating system reasonably.

• 出版日期2010-4-20
• 单位北京师范大学