Anionic Clusters Produced in Low-Energy Electron Irradiation of Methanol Liquid

Ziwei Chen; Ziyuan Li; Shan Xi Tian

doi:10.1063/1674-0068/cjcp2304037

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Ziwei Chen, Ziyuan Li, Shan Xi Tian. Anionic Clusters Produced in Low-Energy Electron Irradiation of Methanol Liquid[J]. Chinese Journal of Chemical Physics . doi: 10.1063/1674-0068/cjcp2304037

Citation:

Ziwei Chen, Ziyuan Li, Shan Xi Tian. Anionic Clusters Produced in Low-Energy Electron Irradiation of Methanol Liquid[J]. Chinese Journal of Chemical Physics . doi: 10.1063/1674-0068/cjcp2304037

Ziwei Chen, Ziyuan Li, Shan Xi Tian. Anionic Clusters Produced in Low-Energy Electron Irradiation of Methanol Liquid[J]. Chinese Journal of Chemical Physics . doi: 10.1063/1674-0068/cjcp2304037

Citation:

Ziwei Chen, Ziyuan Li, Shan Xi Tian. Anionic Clusters Produced in Low-Energy Electron Irradiation of Methanol Liquid[J]. Chinese Journal of Chemical Physics . doi: 10.1063/1674-0068/cjcp2304037

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Anionic Clusters Produced in Low-Energy Electron Irradiation of Methanol Liquid

doi: 10.1063/1674-0068/cjcp2304037

Ziwei Chen¹,
Ziyuan Li¹,
Shan Xi Tian^{1, 2
,
,}

1.
Department of Chemical Physics, Key Laboratory of Surface and Interface Chemistry and Energy Catalysis of Anhui Higher Education Institutes, Collaborative Innovation Center of Chemistry for Energy Materials (iChEM), University of Science and Technology of China, Hefei 230026, China
2.
Hefei National Research Center for Physical Sciences at the Microscale, University of Science and Technology of China, Hefei 230026, China

More Information

Corresponding author: E-mail: sxtian@ustc.edu.cn
Received Date: 2023-04-22
Accepted Date: 2023-05-19

Available Online: 2023-05-20

Abstract

Abstract

In the low-energy electron impacts with a liquid beam of methanol, we detect the anionic yields using a linear time-of-flight mass spectrometer. With help of quantum chemistry calculations, we further identify these anionic products as the hydrogen-bonding clusters, i.e., CH₃OH·CH₃O⁻ and CH₃OH·CH₃OH·CH₃O⁻, and their singly occupied molecular orbitals show the valence-bound feature. In contrast, CH₃OH·CH₃OH⁻ and CH₃OH·CH₃OH·CH₃OH⁻ are unfavored in energetics with respect to the dehydrogenated ones, although they also correspond to the minima on the potential energy surfaces. Furthermore, the singly occupied molecular orbitals of CH₃OH·CH₃OH⁻ and CH₃OH·CH₃OH·CH₃OH⁻ indicate the typical feature of aqueous-solvated electron.
- Anionic cluster,
- Low-energy electron,
- Liquid beam

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References(22)

References

[1]	G. C. Almeida, D. P. Andrade, C. Arantes, A. M. Nazareth, H. M. Boechat-Roberty, and M. L. M. Rocco, J. Phys. Chem. C 116, 25388 (2012). doi: 10.1021/jp308680k
[2]	B. Bandyopadhyay, O. Kostko, Y. Fang, and M. Ahmed, J. Phys. Chem. A 119, 4083 (2015). doi: 10.1021/acs.jpca.5b00912
[3]	A. Vrhovsek, O. Gereben, A. Jamnik, and L. Pusztai, J. Phys. Chem. B 115, 13473 (2011). doi: 10.1021/jp206665w
[4]	F. N. Keutsch and R. J. Saykally, Proc. Natl. Acad. Sci. USA 98, 10533 (2001). doi: 10.1073/pnas.191266498
[5]	M. Yang and J. Skinner, Phys. Chem. Chem. Phys. 12, 982 (2010). doi: 10.1039/B918314K
[6]	M. Faubel and T. Kisters, Nature 339, 527 (1989). doi: 10.1038/339527a0
[7]	L. Chen, Z. Chen, Z. Li, J. Hu, and S. X. Tian, Rev. Sci. Instrum. 89, 103102 (2018). doi: 10.1063/1.5022394
[8]	Z. Chen, C. F. Fu, Z. Li, J. Hu, H. Li, J. Yang, and S. X. Tian, J. Phys. Chem. Lett. 11, 7510 (2020). doi: 10.1021/acs.jpclett.0c02097
[9]	Z. Li, Z. Chen, J. Hu, H. Li, and S. X. Tian, Chin. J. Chem. Phys. 34, 43 (2021). doi: 10.1063/1674-0068/cjcp2101002
[10]	Z. Chen, Z. Li, J. Hu, and S. X. Tian, Acc. Chem. Res. 55, 3071 (2022). doi: 10.1021/acs.accounts.2c00428
[11]	C. R. Arumainayagam, H. L. Lee, R. B. Nelson, D. R. Haines, and R. P. Gunawardane, Surf. Sci. Rep. 65, 1 (2010). doi: 10.1016/j.surfrep.2009.09.001
[12]	E. Alizadeh and L. Sanche, Radiat. Phys. Chem. 81, 33 (2012). doi: 10.1016/j.radphyschem.2011.09.004
[13]	B. C. Ibănescu, O. May, A. Monney, and M. Allan, Phys. Chem. Chem. Phys. 9, 3163 (2007). doi: 10.1039/B704656A
[14]	M. C. Boyer, M. D. Boamah, K. K. Sullivan, C. R. Arumainayagam, M. Bazin, A. D. Bass, and L. Sanche, J. Phys. Chem. C 118, 22592 (2014). doi: 10.1021/jp506365d
[15]	T. H. Bertram, R. E. Cochran, V. H. Grassian, and E. A. Stone, Chem. Soc. Rev. 47, 2374 (2018). doi: 10.1039/C7CS00008A
[16]	Y. Zhao and D. G. Truhlar, Theor. Chem. Acc. 120, 215 (2008). doi: 10.1007/s00214-007-0310-x
[17]	J. A. Pople, M. Head-Gordon, and K. Raghavachari, J. Chem. Phys. 87, 5968 (1987). doi: 10.1063/1.453520
[18]	M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, J. B. Foresman, and D. J. Fox, Gaussian 16, Revision C. 01, Wallingford, CT: Gaussian Inc., (2016).
[19]	A. Kühn, H. P. Fenzlaff, and E. Illenberger, J. Chem. Phys. 88, 7453 (1988). doi: 10.1063/1.454309
[20]	A. Kammrath, J. R. Verlet, G. B. Griffin, and D. M. Neumark, J. Chem. Phys. 125, 171102 (2006). doi: 10.1063/1.2355484
[21]	A. Kammrath, G. B. Griffin, J. R. Verlet, R. M. Young, and D. M. Neumark, J. Chem. Phys. 126, 244306 (2007). doi: 10.1063/1.2747618
[22]	G. Pohl, L. Mones and L. Turi, J. Chem. Phys. 145, 164313 (2016). doi: 10.1063/1.4964845