Electronic absorption spectrum of a nonlinear carbon chain: trans-C6H4+.
Electronic absorption spectrum of a nonlinear carbon chain: trans-C6H4+.
复制标题
非线性碳链的电子吸收光谱：反式C6H4。
DOI：
10.1039/b500052a
复制
发表时间：
2005
期刊：
影响因子：
--
通讯作者：
J. Maier
中科院分区：
文献类型：
--
作者：
M. Araki;T. Motylewski;P. Kolek;J. Maier
在气相中观察到反式-C_6H ~（4+）和反式-C_6D ~（4+）的非线性碳链的~ 2B_g-X ~ 2Au跃迁。在580 nm的区域内，通过超声平面放电与腔衰荡技术的直接吸收检测光谱。虽然旋转结构没有解决，使用“总光谱拟合”程序，使用CASSCF和CASPT 2方法计算的基态常数的能带分布进行了分析。因此，可以确定上态的分子常数。
The 2Bg-X2Au transition of a nonlinear carbon chain trans-C6H4+, and trans-C6D4+, has been observed in the gas phase. The spectra were detected in the 580 nm region by direct absorption with a cavity ringdown technique through a supersonic planar discharge. Though the rotational structure is not resolved, the band profiles were analyzed using a "total spectral fitting" procedure using ground-state constants calculated by the CASSCF and CASPT2 methods. The molecular constants in the upper state could thus be determined.