Ultrafast Photodissociation Dynamics of Highly Excited Iodobenzene on the C Band

Chunlong Hu; Ying Tang; Xinli Song; Zhiming Liu; Bing Zhang

doi:10.1021/acs.jpca.6b09610

Ultrafast Photodissociation Dynamics of Highly Excited Iodobenzene on the C Band

J Phys Chem A. 2016 Dec 29;120(51):10088-10095. doi: 10.1021/acs.jpca.6b09610. Epub 2016 Dec 16.

Authors

Chunlong Hu^{1

2}, Ying Tang^{1

2}, Xinli Song^{1

2}, Zhiming Liu^{1

2}, Bing Zhang^{1

2}

Affiliations

¹ State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, Wuhan Institute of Physics and Mathematics, Chinese Academy of Sciences , Wuhan 430071, P. R. China.
² University of Chinese Academy of Sciences , Beijing 100049, P. R. China.

PMID: 27982598
DOI: 10.1021/acs.jpca.6b09610

Abstract

The photodissociation dynamics of highly excited iodobenzene from the C band absorption has been studied by femtosecond time-resolved ion yields techniques. Detailed photodissociation routes are discussed with the aid of high-level, spin-orbit resolved ab initio calculations of 1D potential energy curves. Upon 200 nm excitation within the C band, iodobenzene molecules on 7B₂ and 7B₁ states decay to 7A₁ and 8B₂ states through internal conversion in 75 fs, with electronic energy converted into high vibrational energy of 7A₁ and 8B₂ states. Subsequently, 7A₁ and 8B₂ states decay through internal vibrational energy redistribution in 540 fs, accompanied by the excited C-I mode and the resulting cleavage of the C-I bond. The overall time for the reaction starting from the phenyl-type modes and ending in final C-I fragmentation for I(²P_3/2) production is 1.2 ps.