Gas phase electronic spectrum of T-shaped AlC2 radical

被引:7
|
作者
Apetrei, C. [1 ]
Knight, A. E. W. [1 ]
Chasovskikh, E. [1 ]
Jochnowitz, E. B. [1 ]
Ding, H. [1 ]
Maier, J. P. [1 ]
机构
[1] Univ Basel, Dept Chem, CH-4056 Basel, Switzerland
来源
JOURNAL OF CHEMICAL PHYSICS | 2009年 / 131卷 / 06期
基金
瑞士国家科学基金会;
关键词
ab initio calculations; aluminium compounds; fluorescence; free radicals; molecular beams; molecule-photon collisions; photoionisation; rotational states; two-photon spectra; vibrational states; vibronic states; YTTRIUM DICARBIDE; DISSOCIATION ENERGIES; INFRARED-SPECTRA; AB-INITIO; SPECTROSCOPY; IDENTIFICATION; FREQUENCIES; TRANSITION; MOLECULE; SYSTEM;
D O I
10.1063/1.3186758
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Gas phase electronic transitions for the C approximate to B-2(2)<- X approximate to (2)A(1) and D approximate to B-2(1)<- X approximate to (2)A(1) band systems of T-shaped AlC2 (C-2v) 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 approximate to B-2(2) 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 approximate to (2)A(1), C approximate to B-2(2), and D approximate to B-2(1) states have been determined. Rotational analysis of a number of bands yields spectroscopic constants for one vibronic state in the C approximate to B-2(2) manifold and the origin band of the D approximate to B-2(1)<- X approximate to (2)A(1) system.
引用
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页数:7
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