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对甲氧基苯甲腈是一种重要的化学化工原料,本文采用超声分子束技术和共振多光子电离方法获得了对甲氧基苯甲腈的单色共振双光子电离光谱,基态S0到电子激发态S1的0←0跃迁被确定为(35549±2)cm~(-1),结合含时密度泛函理论计算结果对观察到的光谱进行了振动模式标识和描述.实验发现呼吸振动模非常易于激活,其基频和二次泛频光谱很强,三次泛频也可明确标识,观察到大量呼吸振动与其他正则模的结合振动,这是对甲氧基苯甲腈不同于常见的多原子分子的一个重要特性.这些结果为研究对甲氧基苯甲腈的里德堡态、动力学和零动能光谱等提供了重要的参考数据.
Para-methoxybenzonitrile is an important chemical raw material. In this paper, the monochromatic resonance two-photon ionization spectrum of p-methoxybenzonitrile was obtained by using ultrasonic molecular beam technique and resonance multiphoton ionization. The ground state S0 to electron The 0 ← 0 transition of excited state S1 was determined to be (35549 ± 2) cm -1, and the observed vibration spectra were identified and described with the time-dependent density functional theory calculations. It was found that the respiratory vibration mode Very easy to activate, with strong fundamental and second-order overtones, triple-overtone can be clearly identified and observed a large number of respiratory vibration combined with the vibration of other regular modes, which is different from p-methoxybenzonitrile common These results provide important reference data for the study of Rydberg states, kinetics and kinetic energy spectra of p-methoxybenzonitriles.