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The ionization energy of C2
The Journal of Chemical Physics ( IF 3.1 ) Pub Date : 2016-04-11 14:12:32 , DOI: 10.1063/1.4944932 O. Krechkivska 1 , G. B. Bacskay 2 , B. A. Welsh 1 , K. Nauta 1 , S. H. Kable 1 , J. F. Stanton 3 , T. W. Schmidt 1
The Journal of Chemical Physics ( IF 3.1 ) Pub Date : 2016-04-11 14:12:32 , DOI: 10.1063/1.4944932 O. Krechkivska 1 , G. B. Bacskay 2 , B. A. Welsh 1 , K. Nauta 1 , S. H. Kable 1 , J. F. Stanton 3 , T. W. Schmidt 1
Affiliation
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Resonant two-photon threshold ionization spectroscopy is employed to determine the ionizationenergy of C2 to 5 meV precision, about two orders of magnitude more precise than the previously accepted value. Through exploration of the ionization threshold after pumping the 0–3 band of the newly discovered 43Πg←a3Πu band system of C2, the ionizationenergy of the lowest rovibronic level of the a3Πu state was determined to be 11.791(5) eV. Accounting for spin-orbit and rotational effects, we calculate that the ionizationenergy of the forbidden origin of the a3Πu state is 11.790(5) eV, in excellent agreement with quantum thermochemical calculations which give 11.788(10) eV. The experimentally derived ionizationenergy of X1Σg+ state C2 is 11.866(5) eV.
中文翻译：
C2的电离能
共振双光子阈值电离光谱用于确定C 2至5 meV精度的电离能，其精度比先前接受的值高两个数量级。通过泵送0-3频带的新发现后的电离阈值的勘探4 3 Π克←一个3 Π ü C波段的系统2中，最低水平rovibronic的ionizationenergy一个3 Π ü确定状态为11.791（5）eV。占自旋-轨道和旋转的影响，我们计算了的禁来源ionizationenergy一个3 Πu状态为11.790（5）eV，与给出11.788（10）eV的量子热化学计算非常吻合。实验得出的X1Σg+态C 2的电离能为11.866（5）eV。
更新日期：2016-04-12
中文翻译：
C2的电离能
共振双光子阈值电离光谱用于确定C 2至5 meV精度的电离能，其精度比先前接受的值高两个数量级。通过泵送0-3频带的新发现后的电离阈值的勘探4 3 Π克←一个3 Π ü C波段的系统2中，最低水平rovibronic的ionizationenergy一个3 Π ü确定状态为11.791（5）eV。占自旋-轨道和旋转的影响，我们计算了的禁来源ionizationenergy一个3 Πu状态为11.790（5）eV，与给出11.788（10）eV的量子热化学计算非常吻合。实验得出的X1Σg+态C 2的电离能为11.866（5）eV。
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