Lee Gi Woo, Lee Sang Kuk
Department of Chemistry, Pusan National University, Pusan 609-735, Republic of Korea.
J Chem Phys. 2007 Jun 7;126(21):214308. doi: 10.1063/1.2740629.
The vibronically excited but jet-cooled 2,4,5-trimethylbenzyl (duryl) radical was formed in a corona excitation from precursor 1,2,4,5-tetramethylbenzene (durene) seeded in a large amount of inert carrier gas helium using a pinhole-type glass nozzle. The vibronically resolved emission spectrum of the jet-cooled duryl radical was recorded, for the first time, with a long path monochromator in the visible region. The spectrum was analyzed to obtain an accurate electronic energy of the D1-->D0 transition and vibrational mode frequencies in the ground electronic state by comparing with those of the precursor and those from an ab initio calculation.
通过针孔型玻璃喷嘴,在大量惰性载气氦气中注入前驱体1,2,4,5-四甲基苯(杜烯),经电晕激发形成了振动激发但处于喷射冷却状态的2,4,5-三甲基苄基(杜基)自由基。首次使用长路径单色仪在可见光区域记录了喷射冷却杜基自由基的振动分辨发射光谱。通过与前驱体的光谱以及从头算计算得到的光谱进行比较,对该光谱进行分析,以获得D1→D0跃迁的精确电子能量和基态电子态的振动模式频率。