Two-color resonance enhanced two-photon ionization and mass analyzed threshold ionization spectroscopy of 2-methoxybenzonitrile
Two-color resonance enhanced two-photon ionization and mass analyzed threshold ionization spectroscopy of 2-methoxybenzonitrile
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2-甲氧基苯甲腈的双色共振增强双光子电离和质量分析阈值电离光谱
DOI：
10.1016/j.jms.2019.111182
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发表时间：
2019-09
影响因子：
1.4
通讯作者：
Suotang Jia
中科院分区：
文献类型：
--
作者：
Yan Zhao;Yinghui Jin;Changyong Li;Suotang Jia
我们报告了 2-甲氧基苯甲腈的双色共振增强双光子电离 (R2PI) 和质量分析阈值电离 (MATI) 光谱。确定S 1←S 0 跃迁的原带和2-甲氧基苯甲腈的精确绝热电离能分别为34,176±2和70,658±5 cm− 1。计算了 S 1← S 0 和 D 0← S 1 跃迁的振动分辨电子光谱的 Franck-Condon 模拟，并用于辅助实验光谱中电子振动带的分配。 S 1 和D 0 态的主动振动主要与面内环变形和面内环-OCH 3 弯曲运动有关。在通过不同中间态记录的MATI光谱中观察到的倾向规则Δυ= 0表明2-甲氧基苯甲腈在D 0 态下的分子几何形状与S 1 态下的分子几何形状相似。通过比较 2-甲氧基苯甲腈与苯甲醚、苯甲腈和邻位取代衍生物的跃迁能，可以深入了解 CN 和 OCH 3 基团对跃迁能的取代效应。
We report the two-color resonance enhanced two-photon ionization (R2PI) and mass analyzed threshold ionization (MATI) spectra of 2-methoxybenzonitrile. The origin band of S 1← S 0 transition and accurate adiabatic ionization energy of 2-methoxybenzonitrile are determined to be 34,176±2, and 70,658±5 cm− 1, respectively. The Franck-Condon simulations of the vibrationally resolved electronic spectra for S 1← S 0 and D 0← S 1 transitions are calculated and used to assist the assignments of the vibronic bands in the experimental spectra. The active vibrations in the S 1 and D 0 states are mainly associated with the motions of the in-plane ring deformation and the in-plane ring-OCH 3 bending. A propensity rule of Δ υ= 0, observed in the MATI spectra recorded via different intermediate states, suggests that the molecular geometry of 2-methoxybenzonitrile in the D 0 state resembles that in the S 1 state. Comparing the transition energies of 2-methoxybenzonitrile with those of anisole, benzonitrile and ortho substituted derivatives provides insight into the substitution effect of CN and OCH 3 groups on the transition energies.
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影响因子：
2.8
作者：
Kui Shiu Shiung;Dan Yu;S. Tzeng;W. Tzeng
通讯作者：
Kui Shiu Shiung;Dan Yu;S. Tzeng;W. Tzeng
影响因子：
4.4
作者：
C. H. Kwon;Hong-Lae Kim;M. Kim
通讯作者：
C. H. Kwon;Hong-Lae Kim;M. Kim
影响因子：
4.4
作者：
Bloino, Julien;Biczysko, Malgorzata;Barone, Vincenzo
通讯作者：
Barone, Vincenzo
影响因子：
--
作者：
Araki, M;Sato, S;Kimura, K
通讯作者：
Kimura, K
影响因子：
4.4
作者：
Langchi Zhu;Philip J. M. Johnson
通讯作者：
Langchi Zhu;Philip J. M. Johnson