Institute of Atomic and Molecular Sciences, Academia Sinica, Taipei 10617, Taiwan.
J Chem Phys. 2012 Aug 14;137(6):064314. doi: 10.1063/1.4742935.
Photodissociation dynamics of benzyl alcohol, C(6)H(5)CH(2)OH and C(6)H(5)CD(2)OH, in a molecular beam was investigated at 193 nm using multimass ion imaging techniques. Four dissociation channels were observed, including OH elimination and H(2)O elimination from the ground electronic state, H atom elimination (from OH functional group), and CH(2)OH elimination from the triplet state. The dissociation rate on the ground state was found to be 7.7 × 10(6) s(-1). Comparison to the potential energy surfaces from ab initio calculations, dissociation rate, and branching ratio from Rice-Ramsperger-Kassel-Marcus calculations were made.
利用多质量离子成像技术，在 193nm 波长下，研究了苯甲醇（C(6)H(5)CH(2)OH）和 C(6)H(5)CD(2)OH 在分子束中的光解动力学。观察到了四个离解通道，包括从基态消除 OH 基团和 H(2)O，从 OH 官能团消除 H 原子，以及从三重态消除 CH(2)OH。基态的离解速率被发现为 7.7×10(6)s(-1)。通过与从头算计算的势能面进行比较，进行了 Rice-Ramsperger-Kassel-Marcus 计算的离解速率和分支比的计算。
