数据来源:乙基自由基在1.48 $\mu$ m附近的$\tilde{A}-\tilde{X}$波段分析和$\tilde{X}$态能的重新评估

T. Sears, G. Hall, Anh T. Le, Eisen C. Gross
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引用次数: 0

摘要

本文报道了C $_2$ H的部分近红外光谱的观测和分析,它起源于地面的旋转能级和地面$\tilde{X}\,^2\Sigma^+$态的最低两个激发弯曲振动能级。在分析中,我们结合了目前和以前报道的低能级的高分辨率光谱数据,以确定显著改进的分子常数,以描述在零点,$v_2=1$和$v_2=2$的$^2\Sigma^+$分量中的自由基的精细和超精细分裂旋转水平。涉及的两个较高状态的振动水平以前没有被观察到。数据和分析表明,基态下电子波函数随弯曲振动激发的变化而变化,为将来测量自由基的反应性作为振动激发的函数提供了途径。
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Data for: Analysis of the $\tilde{A}-\tilde{X}$ bands of the Ethynyl Radical near 1.48$\mu$m and Re-evaluation of $\tilde{X}$ State Energies
We report the observation and analysis of spectra in part of the near-infrared spectrum of C$_2$H, originating in rotational levels in the ground and lowest two excited bending vibrational levels of the ground $\tilde{X}\,^2\Sigma^+$ state. In the analysis, we have combined present and previously reported high resolution spectroscopic data for the lower levels involved in the transitions to determine significantly improved molecular constants to describe the fine and hyperfine split rotational levels of the radical in the zero point, $v_2=1$ and the $^2\Sigma^+$ component of $v_2=2$. Two of the upper state vibronic levels involved had not been observed previously. The data and analysis indicate the electronic wavefunction character changes with bending vibrational excitation in the ground state and provide avenues for future measurements of reactivity of the radical as a function of vibrational excitation.
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