Apetrei C, Knight A E W, Chasovskikh E, Jochnowitz E B, Ding H, Maier J P
Department of Chemistry, University of Basel, Klingelbergstr. 80, CH-4056 Basel, Switzerland.
J Chem Phys. 2009 Aug 14;131(6):064305. doi: 10.1063/1.3186758.
Gas phase electronic transitions for the C 2B2<--X 2A1 and D 2B1<--X 2A1 band systems of T-shaped AlC2 (C2v) radical have been measured in the 345-475 nm range. Vibrational analyses of both band systems are reported. Simulation of several rotationally resolved bands confirms previously obtained rotational parameters for the C 2B2 state. The radical is produced by ablating an aluminum rod in the presence of acetylene gas. The resulting supersonic molecular beam is probed using both mass-selective resonant two-color two-photon ionization and laser induced fluorescence. Ab initio calculations and vertical electronic excitation energies help the assignment. Vibrational frequencies for the X 2A1, C 2B2, and D 2B1 states have been determined. Rotational analysis of a number of bands yields spectroscopic constants for one vibronic state in the C 2B2 manifold and the origin band of the D 2B1<--X 2A1 system.
在345 - 475纳米范围内测量了T形AlC2(C2v)自由基的C 2B2<--X 2A1和D 2B1<--X 2A1能带系统的气相电子跃迁。报道了两个能带系统的振动分析。对几个旋转分辨带的模拟证实了先前获得的C 2B2态的旋转参数。通过在乙炔气体存在下烧蚀铝棒产生自由基。使用质量选择共振双色双光子电离和激光诱导荧光对产生的超声分子束进行探测。从头算计算和垂直电子激发能有助于进行归属。确定了X 2A1、C 2B2和D 2B1态的振动频率。对多个带的旋转分析得出了C 2B2多重态中一个振转态以及D 2B1<--X 2A1系统的起始带的光谱常数。