Accurate determination of ionization energy of 1, 3-diethoxybenzene via photoionization efficiency spectrum in electrostatic field

Duan Chun-Yang; Li Na; Zhao Yan; Li Chang-Yong

doi:10.7498/aps.70.20201273

Abstract

Ionization energy (IE) is an important characteristic parameter of atoms or molecules. It plays an important role in the process of photophysics and photochemistry. The precise ionization energy is very important for relevant research. Especially, it is very useful for adjusting the signal of the zero-kinetic energy (ZEKE) spectrum, and it also plays a key role in judging the number of rotamers and molecular configuration. In linear time-of-flight mass spectrometers, pulsed electric fields are usually used to drive photo-ionized ions to the detector to produce the photoionization efficiency (PIE) spectrum. The ionization energy is directly obtained from the PIE curve. The uncertainty of the measured IE is usually greater than or equal to ± 10 cm^–1. The ZEKE spectroscopy is based on the long-lived Rydberg state field ionization technology. In the ZEKE experiments, the laser excites molecules to the Rydberg state and then a pulsed field ionization (PFI) is used for measurement. A peak with high signal-to-noise ratio and narrow linewidth signal appears near the ionization threshold. Therefore, the more accurate ionization energy can be obtained, and the uncertainty of the measured value is about ± 5 cm^–1. The 1,3-diethoxybenzene is an important benzene derivative, and experiments have confirmed that there are two rotamers, i.e. I (down-up) and III (down-down) in the supersonic molecular beam. In this paper, a linear time-of-flight mass spectrometer is used to measure the photoionization efficiency curves of 1,3-diethoxybenzene in electrostatic fields. From the linear fitting of the ionization energy values measured under different electric fields (Stark effect) to the square root of the field strengths, the precise ionization energy values of rotamer I and rotamer III are determined to be (62419 ± 2) cm^–1 and (63378 ± 2) cm^–1, respectively. Compared with the accuracies of the values measured by the usual pulsed electric field acceleration mechanism and the ZEKE spectroscopy, the accuracy is improved from about ± 10 and ± 5 to ± 2 cm^–1, respectively. The physical mechanism, advantages and disadvantages of different methods are analyzed and discussed. The present research results show that the ionization energy measured in the electrostatic field is more accurate, the physical meaning of the measurement process is clear, and the threshold data are easy to collect. This is the first report on the precise ionization energy of 1,3-diethoxybenzene rotamers.

Keywords:

Authors and contacts

1.
State Key Laboratory of Quantum Optics and Quantum Optics Devices, Institute of Laser Spectroscopy, Shanxi University, Taiyuan 030006, China
2.
School of Mathematics and Physics, Jinzhong University, Jinzhong 030619, China
3.
Collaborative Innovation Center of Extreme Optics, Shanxi University, Taiyuan 030006, China

Corresponding author: Li Chang-Yong, lichyong@sxu.edu.cn

Funds: Project supported by the National Basic Research Program of China (Grant No. 2017YFA0304203), the Key Program of the National Natural Science Foundation of China (Grant No. 61835007), the National Natural Science Foundation of China (Grant No. 61575115), the Program for Changjiang Scholars and Innovative Research Team in University of Ministry of Education of China (Grant No. IRT_17R70), the 111 Project (Grant No. D18001), and the Project for Shanxi ‘‘1331 Project” Key Subjects Construction, China

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References

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Cited By

图 1 直线式飞行时间质谱仪原理图. P₁, P₂, P₃, P₄, P₅为离子透镜的片状电极; P₁与P₂间区域I为激光和分子束相互作用区. MCP为微通道板探测器

Figure 1. Schematic diagram of a linear time-of-flight mass spectrometer. P₁, P₂, P₃, P₄, P₅ are the electrodes of the electrostatic lens; the region I between P₁ and P₂ is the interaction area between lasers and molecular beam. MCP is a microchannel plate detector.

DownLoad: Full-Size Img PowerPoint

图 2 1,3-二乙氧基苯分子的三种构型, 根据取代基OC₂H₅的方向命名三种构型分别为I, down-up; II, up-up; III, down-down

Figure 2. Three configurations of 1,3-diethoxybenzene molecule. The three configurations are named according to the direction of the substituent OC₂H₅ as I, down-up; II, up-up; III, down-down.

DownLoad: Full-Size Img PowerPoint

图 3 异构物I在不同电场中的光电离效率曲线(a)及其测量的电离能对电场强度平方根的线性拟合(b). 图(a)中箭头指向了电场中电离阈值的取值点

Figure 3. The photoionization efficiency curves of isomer I (down-up) in different electric fields (a), and the linear fitting of the measured ionization energy to the square root of the electric field intensity (b). The arrows in figure (a) point to the ionization thresholds in the electric fields.

DownLoad: Full-Size Img PowerPoint

图 4 异构物III在不同电场中的光电离效率曲线(a)及其测量的电离能对电场强度平方根的线性拟合(b). 图(a)中箭头指向了电场中电离阈值的采集点

Figure 4. The photoionization efficiency curves of isomer III (down-down) in different electric fields (a), and the linear fitting of the measured ionization energy to the square root of the electric field intensity (b). The arrows in figure (a) point to the ionization thresholds in the electric fields.

DownLoad: Full-Size Img PowerPoint

map

[1]	Zhang L J, Yu D, Dong C W, Cheng M, Hu L L, Zhou Z M, Du Y K, Zhu Q H, Zhang C H 2013 Spectrochim. Acta, Part A 104 235 Google Scholar
[2]	Yang S C, Huang H W, Tzeng W B 2010 J. Phys. Chem. A 114 11144 Google Scholar
[3]	Qin C, Tzeng S Y, Zhang B, Tzeng W B 2019 J. Mol. Spectrosc. 355 26 Google Scholar
[4]	Xu Y Q, Tzeng S Y, Zhang B, Tzeng W B 2013 Spectrochim. Acta, Part A 102 365 Google Scholar
[5]	Lee Y R, Kim M H, Kim H L, Kwon C H 2018 J. Chem. Phys. 149 174302 Google Scholar
[6]	Wu P Y, Tzeng W B 2015 J. Mol. Spectrosc. 316 72 Google Scholar
[7]	Tsai C Y, Tzeng W B 2013 J. Photoch. Photobio. A 270 53 Google Scholar
[8]	Dai W S, Zhang Z, Du Y K 2020 Spectrochim. Acta, Part A 224 117398 Google Scholar
[9]	Xiao D Q, Yu D, Xu X L, Yu Z J, Cheng M, Du Y K, Zheng W J, Zhu Q H 2009 Phys. Chem. Chem. Phys. 11 3532 Google Scholar
[10]	Xu Y Q, Tzeng S Y, Shivatare V, Takahashi K, Zhang B, Tzeng W B 2015 J. Chem. Phys. 142 124314 Google Scholar
[11]	Huang J H, Huang K L, Liu S Q, Luo Q, Tzeng W B 2007 J. Photoch. Photobio. A 188 252 Google Scholar
[12]	Li C Y, Lin J L, Tzeng W B 2005 J. Chem. Phys. 122 044311 Google Scholar
[13]	Zhang L J, Dong C W, Cheng M, Hu L L, Du Y K, Zhu Q H, Zhang C H 2012 Spectrochim. Acta, Part A 96 578 Google Scholar
[14]	Li C Y, Pradhan M, Tzeng W B 2005 Chem. Phys. Lett. 411 506 Google Scholar
[15]	Lin J L, Li C Y, Tzeng W B 2004 J. Chem. Phys. 120 10513 Google Scholar
[16]	Qin C, Tzeng S Y, Zang B, Tzeng W B 2014 Acta Phys. Chim. Sin. 30 1416 Google Scholar
[17]	Wu P Y, Tzeng S Y, Hsu Y C, Tzeng W B 2017 J. Mol. Spectrosc. 332 3 Google Scholar
[18]	Lin J L, Tzeng W B 2000 Phys. Chem. Chem. Phys 2 3759 Google Scholar
[19]	Shivatare V, Tzeng W B 2014 Bull. Korean Chem. Soc. 35 815 Google Scholar
[20]	Lin J L, Li Y C, Tzeng W B 2007 Chem. Phys. 334 189 Google Scholar
[21]	Ketkov S Y, Tzeng S Y, Wu P Y, Markin G V, Tzeng W B 2017 Chem. Eur. J. 23 1 Google Scholar
[22]	Zhang L J, Li D Z, Cheng M, Du Y K, Zhu Q H 2017 Spectrochim. Acta, Part A 183 177 Google Scholar
[23]	Hao J Y, Duan C Y, Yang Y G, Li C Y, Jia S T 2020 J. Mol. Spectrosc. 369 111258 Google Scholar
[24]	Jin Y H, Zhao Y, Yang Y G, Wang L R, Li C Y, Jia S T 2018 Chem. Phys. Lett. 692 395 Google Scholar
[25]	李鑫, 赵岩, 靳颖辉, 王晓锐, 余谢秋, 武媚, 韩昱行, 杨勇刚, 李昌勇, 贾锁堂 2017 66 093301 Google Scholar Li X, Zhao Y, Jin Y H, Wang X R, Yu X Q, Wu M, Han Y Y, Yang Y G, Li C Y, Jia S T 2017 Acta Phys. Sin. 66 093301 Google Scholar
[26]	Zhao Y, Jin Y H, Hao J Y, Yang Y G, Wang L R, Li C Y, Jia S T 2019 Spectrochim. Acta, Part A 207 328 Google Scholar
[27]	Ullrich S, Geppert W D, Dessent C E H, Mu1ler-Dethlefs K 2000 J. Phys. Chem. A 104 11864
[28]	Wilke M, Schneider M, Wilke J, Ruiz-Santoyo J A, Campos-Amador J J, Gonzalez-Medina M. E, Alvarez-Valtierra L, Schmitt M 2017 J. Mol. Struct. 1140 59 Google Scholar
[29]	李昌勇, 张临杰, 赵建明, 贾锁堂 2012 61 163202 Google Scholar Li C Y, Zhang L J, Zhao J M, Jia S T 2012 Acta Phys. Sin. 61 163202 Google Scholar
[30]	Li C Y, Hao T, Zgang H, Zhu X B, TAO G Q, Zhang L J, Zhao J M, Jia S T 2012 J. Phys. Soc. Jpn. 81 044302 Google Scholar
[31]	Dong H, Wang T, Li C Y, Zhao J M, Zhang L J 2013 Chin. Phys. B 22 073201 Google Scholar
[32]	Dong H, Hang K S, Li C Y, Zhao J M, Zhang L, Jia S T 2014 Chin. Phys. B 23 093202 Google Scholar
[33]	董慧杰, 王新宇, 李昌勇, 贾锁堂 2015 64 093201 Google Scholar Gong H J, Wang X Y, Li C Y, Jia S T 2015 Acta Phys. Sin. 64 093201 Google Scholar
[34]	Wang L M, Li C Y, Zhang H, Zhang L J, Yang Y G, Man Y, Zhao J M, Jia S T 2016 Phys. Rev. A 93 033416 Google Scholar
[35]	Chupka W A 1993 J. Chem. Phys. 98 4520 Google Scholar
[36]	Zhang B, Li C Y, Su H W, Lin J L, Tzeng W B 2004 Chem. Phys. Lett. 390 65 Google Scholar
[37]	Choi K W, Choi S, Baek S J, Kim S K 2007 J. Chem. Phys. 126 034308 Google Scholar

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