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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Dissociation Kinetics of Energy-Selected (C_6H_6)_2Cr~+ Ions: Benzene-Chromium Neutral and Ionic Bond Energies
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Dissociation Kinetics of Energy-Selected (C_6H_6)_2Cr~+ Ions: Benzene-Chromium Neutral and Ionic Bond Energies

机译：能量选择的（C_6H_6）_2Cr〜+离子的离解动力学：苯铬中性和离子键能

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Threshold photoelectron-photoion coincidence spectroscopy has been used to investigate the dissociation kinetics of the bis(benzene) chromium ion, (C_6H_6)_2Cr~+. The dissociation of the (C_6H_6)_2Cr~+ ion proceeds by the sequential loss of the two benzene ligands. The two benzene-loss reactions were found to be metastable (lifetimes in the microsecond range) at photon energies close to the dissociation limits of the precursor ions. By simulating the resulting asymmetric time-of-flight peak shapes and breakdown diagram, and 0 K appearance energies of the product ions C_6H_6Cr~+ and Cr~+ were determined to be 7.91 ± 0.15 and 9.61 ± 0.18 eV, respectively. The two C_6H_6-Cr bond energies in the (C_6H_6)_2Cr~+ ion were determined to be 2.51 ± 0.15 and 1.70 ± 0.15 eV, respectively. Using the heats of formation of the fully dissociated products, C_6H_6 and Cr~+, the 298 K heats of formation of (C_6H_6)_2Cr, (C_6H_6)_2Cr~+, and C_6H_6Cr~+ were obtained to be 286 ± 17, 804 ± 18, and 968 ± 15 kJ/mol, respectively. Neutral C_6H_6-Cr bond energies of 2.78 and 0.06 eV were determined for the first and second losses of the benzene ligand, respectively.
机译：阈值光电子-光子符合光谱已用于研究双（苯）铬离子（C_6H_6）_2Cr〜+的离解动力学。 （C_6H_6）_2Cr〜+离子的解离通过两个苯配体的顺序损失而进行。发现两个苯损失反应在接近前体离子的解离极限的光子能量下是亚稳态的（寿命在微秒范围内）。通过模拟所得的不对称飞行时间峰形和击穿图，确定产物离子C_6H_6Cr〜+和Cr〜+的0 K出现能分别为7.91±0.15和9.61±0.18 eV。 （C_6H_6）_2Cr〜+离子中的两个C_6H_6-Cr键能分别确定为2.51±0.15和1.70±0.15 eV。利用完全解离的产物C_6H_6和Cr〜+的形成热，获得了（C_6H_6）_2Cr，（C_6H_6）_2Cr〜+和C_6H_6Cr〜+的298 K形成热，为286±17，804± 18和968±15 kJ / mol。对于苯配体的第一和第二损失，分别确定了2.78和0.06eV的中性C_6H_6-Cr键能。

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