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Mass analyzed threshold ionization of phenol centre dot CO: Intermolecular binding energies of a hydrogen-bonded complex

机译:苯酚中心点CO的质量分析阈值电离阈值:氢键配合物的分子间结合能

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[Phenol centre dot CO]~+ was studied using a combination of two-color resonant zero kinetic energy (ZEKE) spectroscopy and mass analyzed threshold ionization (MATI) spectroscopy to investigate the interaction of the CO ligand with a hydrogen-bonding cation. Vibrational progressions were observed in three intermolecular modes, the in-plane bend (42 cm~(-1)), stretch (130 cm~(-1)), and in-plane wag (160 cm~(-1)), and are consistent with a planar hydrogen-bonded structure where the CO bonds through the carbon atom to the phenol OH group. Dissociation energies for the S_0, S_1, and D_0 states were determined as 659 +- 20, 849 +- 20, and 2425 +- 10 cm~(-1), respectively. The cationic and neutral dissociation energies of the phenol centre dot CO complex are considerably stronger than those of phenol centre dot N_2, demonstrating the extent to which the larger quadrupole of CO affects the strength of binding.
机译:结合双色共振零动能(ZEKE)光谱和质量分析阈值电离(MATI)光谱研究了[酚中心点CO]〜+,以研究CO配体与氢键阳离子的相互作用。在三种分子间模式下观察到振动的进程:平面弯曲(42 cm〜(-1)),拉伸(130 cm〜(-1))和平面摇摆(160 cm〜(-1)),并且与平面氢键结构一致,在该氢键结构中,CO通过碳原子键合至苯酚OH基团。 S_0,S_1和D_0状态的解离能分别确定为659±20、849±20和2425±10 cm〜(-1)。酚中心点CO络合物的阳离子和中性离解能比酚中心点N_2的阳离子和中性离解能强得多,这表明较大的四极杆CO对结合强度的影响程度。

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