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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Photoelectron spectroscopy of anilinide and acidity of aniline
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Photoelectron spectroscopy of anilinide and acidity of aniline

机译：苯胺的光电子能谱和苯胺的酸度

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摘要

The photoelectron spectrum of the anilinide ion has been measured. The spectrum exhibits a vibrational progression of the CCC in-plane bending mode of the anilino radical in its electronic ground state. The observed fundamental frequency is 524 ± 10 cm ~(-1). The electron affinity (EA) of the radical is determined to be 1.607 ± 0.004 eV. The EA value is combined with the N-H bond dissociation energy of aniline in a negative ion thermochemical cycle to derive the deprotonation enthalpy of aniline at 0 K; δ _(acid)H _0(PhHN-H) = 1535.4 ± 0.7 kJ mol ~(-1). Temperature corrections are made to obtain the corresponding value at 298 K and the gas-phase acidity; δ _(acid)H _(298)(PhHN-H) = 1540.8 ± 1.0 kJ mol ~(-1) and δ _(acid)G _(298)(PhHN-H) = 1509.2 ± 1.5 kJ mol ~(-1), respectively. The compatibility of this value in the acidity scale that is currently available is examined by utilizing the acidity of acetaldehyde as a reference.
机译：已经测量了苯胺离子的光电子光谱。该光谱在电子基态下表现出苯胺基的CCC平面弯曲模式的振动过程。观察到的基本频率为524±10 cm〜（-1）。该基团的电子亲和力（EA）确定为1.607±0.004 eV。在负离子热化学循环中，EA值与苯胺的N-H键解离能结合，得出苯胺在0 K时的去质子焓。 δ_（酸）H_0（PhHN-H）＝ 1535.4±0.7kJ mol〜（-1）。进行温度校正以获得298 K和气相酸度的相应值; δ_（酸）H _（298）（PhHN-H）= 1540.8±1.0 kJ mol〜（-1）和δ_（酸）G _（298）（PhHN-H）= 1509.2±1.5 kJ mol〜（ -1）。通过利用乙醛的酸度作为参考来检查该值在当前可用的酸度标度中的相容性。

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