Note: Photodissociation of CH3COCN at 308 nm by time-resolved Fourier-transform infrared emission spectroscopy: Is CO a primary or secondary product?
- Citation:
- Tsai, P-Y, Lin K-C. 2013. Note: Photodissociation of CH3COCN at 308 nm by time-resolved Fourier-transform infrared emission spectroscopy: Is CO a primary or secondary product? Journal of Chemical Physics. 138, Number 24
Abstract:
This Note aims to clarify the source of CO in photodissociation of acetyl cyanide (CH3COCN) at 308 nm. From the theoretical aspects, a new pathway via isomerization transition state (TS) at 391 ± 8 kJ/mol is found leading to the CO + CH3NC products. An amount of 60% reactant molecules at 300 K is estimated to successfully surpass the average TS barrier lying above the excitation energy by 3.5 kJ/mol. Further, a prior distribution method is conducted to characterize the vibrational energy distribution of CO on a statistical basis. The pathway to CH3NC + CO yields a vibrational branching ratio (v = 0:v = 1:v = 2:v = 3∼0.63:0.25:0.093:0.032) in excellent agreement with the observation (0.62:0.25:0.09:0.05). © 2013 AIP Publishing LLC.
Notes:
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