中国科学B辑(英文版)
中國科學B輯(英文版)
중국과학B집(영문판)
SCIENCE IN CHINA(SCIENTIA SINICA)
2003年
1期
19-24
,共6页
oxalyl chloride%UV photodissociation%multi-bond dissociation%ClCOCO free radical%ab initio
The multi-bond dissociation dynamics of oxalyl chloride ((ClCO)2) is investigated by ab initio calculation. Dissociation of C-Cl bond of oxalyl chloride in the ground state is of barrierless. After the absorption of a photon, (ClCO)2 is excited to the first excited state and one of its C-Cl bonds is broken toyield Cl and ClCOCO* free radicals. In addition, ClCOCO* with high energy is prone to release energy (Q), and to turn into ClCOCO in the ground state. The energy (Q) is adequate for ClCOCO to break down into ClCO and CO, and even for ClCO into Cl and CO. The result is consistent with the experimental data that Kong reported.
