Acta Phys. -Chim. Sin. ›› 1997, Vol. 13 ›› Issue (10): 879-884.doi: 10.3866/PKU.WHXB19971004

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A Study of Excited States of Acetyl Radical

Li Qiang,Mao Wen-Tao,Li Hong-Zhi,Zhu Qi-He,Kong Fan-Ao,Huang Ming-Bao   

  1. The State Key Laboratory of Molecular Reaction Dynamics,Institute of Chemistry,Academia Sinica,Beijing 100080|Graduate School at Beijing,USTC,Academia Sinica,Beijing 100039
  • Received:1997-01-21 Revised:1997-04-17 Published:1997-10-15
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Abstract:

Excited states of the acetyl radical (CH3CO) have been studied by means of theoretical and experimental methods. The four low-lying excited states (A 12A″, B 22A′, C 3'A′, and D 22A″) and their vertical excitation energies have been calculated at the MP2 and MRSDCI levels. Thermal decomposition of the ground state of CH3CO and photodissociation of the first and second states (A 12A″ and B 2'A′) have been investigated by Time-Resolved Fourier Transform Infrared Emission Spectroscopy. Vibrational products CO(ν) have been observed. The first electronically excited state (A 12A″) of CH3CO is a bound state, and the second electronically excited state (B 22A′) of CH3CO is a predissociation state.

Key words: Acetyl radical(CH3CO), Electronically excited state, Photoysis, IR emission spectrum