ArCO团簇光电离的实验和理论研究

单晓斌; 赵玉杰; 孔蕊弘; 王思胜; 盛六四; 黄明强; 王振亚

doi:10.7498/aps.62.053602

摘要

利用同步辐射光电离质谱装置,测量了ArCO范德瓦尔斯 (van der Waals, vdW) 团簇的的光电离质谱和光电离效率曲线.将它们与CO分子的绝对光吸收光谱比较, 发现在13.9到14.6 eV能量范围内的ArCO+的光电离效率曲线主要反映了收敛到 CO+ (X2+, v'= 1,2和3) Rydberg系列和收敛到 CO+ (A2)的n= 3的振动序列(v'= 69)的特点; 在14.615.75 eV光子能量范围内的ArCO的光电离效率曲线主要反映了CO的光吸收特性. 然而,由于Ar和CO之间的相互作用,其中的5个重要的光谱结构发生了蓝移; 而在15.7515.80 eV光子能量范围内的Ar-CO的光电离效率曲线,它的属性受到组分Ar和CO的共同影响. 与此同时,也从理论上计算了ArCO团簇的电离能、ArCO团簇和ArCO+ 团簇离子的离解能.

关键词:

ArCO团簇 /
同步辐射 /
光电离

Abstract

The photoionization mass spectra and photoionization efficiency curves of ArCO clusters are obtained with synchrotron radiation mass spectrometry. By comparison with absolute photoabsorption spectra of CO, the photoionization efficiency curve of ArCO clusters in an energy region from 13.9 to 14.6 eV reflects mainly the properties of Rydberg series converging to the X2+ (v+= 1, 2 and 3) of CO+, and these of n= 3 vibration sequence of the series converging to the A2 state of CO+. In the energy region from 14.6 to 15.75 eV, the curve reflects mainly the absorption property of CO, but its five strong peaks shift toward blue due to the interaction between Ar and CO. In an energy region from 15.75 to 15.80 eV, the curve reflects mainly the absorption properties of Ar and CO. At the same time, ionization energy of ArCO, and dissociation energies of ArCO and ArCO + are also calculated using the theory of quantum chemistry.

Keywords:

作者及机构信息

1.
中国科学技术大学国家同步辐射实验室, 合肥 230029;

2.
中国科学院安徽光学精密机械研究所环境光谱学实验室, 合肥 230031

基金项目: 国家自然科学基金(批准号: 10374048)资助的课题.

Authors and contacts

1.
National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei 230029, China;

2.
Laboratory of Environmental Spectroscopy, Anhui Institute of Optics Fine Mechanics, Chinese Academy of Sciences, Hefei 230031, China

Funds: Project supported by the National Natural Science Foundation of China (Grant No. 10374048).

参考文献

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施引文献

[1]	Jortner J, Scharf D, Landman U 1988 Proceedings for the 13th International School (Berlin, West Germany: Springer-Verlag) p148
[2]	Chatasinski G, Szczesniak M M 1994 Chem. Rev. 94 1723
[3]	Castleman Jr A W, Bowen Jr K H 1996 J. Phys. Chem. 100 12911
[4]	Kukawska-Tamawka B, Chafasinski G 1994 Chem. Phys. 101 4964
[5]	Lotrich V F, Avird A V D 2002 J. Chem. Phys. 118 1110
[6]	Havenith M, Schaab G W 2005 Z. Phys.Chem. 219 1053
[7]	Ogata T, Jaeger W, Ozier I, Gerry M C 1993 J. Chem. Phys. 96 9399
[8]	Cheele I, Havenith M 2003 Mol. Phys. 101 1423
[9]	Maehnert J, Baumgaertel H, Weitzel K M 1997 J. Chem. Phys. 107 6667
[10]	Norwood K, Guo J H, C Y N G 1989 Chemical Physics 129 109
[11]	Weitzel K M, Maehnert J 2002 Internal J. Mass spectrometry 214 175
[12]	Toczylowski R R, Cybulski S M 2000 J. Chem. Phys. 112 4604
[13]	Weitzel K M 1998 Chem. Phys. 237 43
[14]	Shin S, Shin S K, Tao F M 1996 J. Chem. Phys. 104 183
[15]	Gianturco F A, Paesani F 2001 J. Chem. Phys. 115 249
[16]	Castells V, Halberstdt N, Shin S K, Beaudet R A, Wittig C 1994 J. Chem. Phys. 101 1006
[17]	Cacheiro J L, Fernandez B, Pederson T B, Koch H 2003 J. Chem. Phys. 118 9596
[18]	Castejon H J, Salazar M C, Paz J L, Hernandez A J 2006 J. Molecular Structure: Theochem 801 1
[19]	Cacheiro J L, Fernandez B, Rizzo A, Jansik B, Pederson T B 2008 Mol. Phys. 106 881
[20]	Wang S S, Kong R H, Shan X B, Zhang Y W, Sheng L S, Wang Z Y, Hao L Q, Zhou S K 2006 Journal of Synchrotron Radiation 13 415
[21]	Gaussian 03, Frisch M J, Trucks G W, Schlegel H B, Scuseria G E, Robb M A, Cheeseman J R, Montgomery Jr. J A, Vreven T, Kudin K N, Burant J C, Millam J M, Iyengar S S, Tomasi J, Barone V, Mennucci B, Cossi M, Scalmani G, Rega N, Petersson G A, Nakatsuji H, Hada M, Ehara M, Toyota K, Fukuda R, Hasegawa J, Ishida M, Nakajima T, Honda Y, Kitao O, Nakai H, Klene M, Li X, Knox J E, Hratchian H P, Cross J B, Adamo C, Jaramillo J, Gomperts R, Stratmann R E, Yazyev O, Austin A J, Cammi R, Pomelli C, Ochterski J W, Ayala P Y, Morokuma K, Voth G A, Salvador P, Dannenberg J J, Zakrzewski V G, Dapprich S, Daniels A D, Strain M C, Farkas O, Malick D K, Rabuck A D, Raghavachari K, Foresman J B, Ortiz J V, Cui Q, Baboul A G, Clifford S, Cioslowski J, Stefanov B B, Liu G, Liashenko A, Piskorz P, Komaromi I, Martin R L, Fox D J, Keith T, Al-Laham M A, Peng C Y, Nanayakkara A, Challacombe M, Gill P M W, Johnson B, Chen W, Wong M W, Gonzalez C, PopleBarone J A, Mennucci B, Cossi M, Scalmani G, Rega N, Petersson G A, Nakatsuji H, Hada M, Ehara M, Toyota K, Fukuda R, Hasegawa J, Ishida M, Nakajima T, Honda Y, Kitao O, Nakai H, Klene M, Li X, Knox J E, Hratchian H P, Cross J B, Adamo C, Jaramillo J, Gomperts R, Stratmann R E, Yazyev O, Austin A J, Cammi R, Pomelli C, Ochterski J W, Ayala P Y, Morokuma K, Voth G A, Salvador P, Dannenberg J J, Zakrzewski V G, Dapprich S, Daniels A D, Strain M C, Farkas O, Malick D K, Rabuck A D, Raghavachari K, Foresman J B, Ortiz J V, Cui Q, Baboul A G, Clifford S, Cioslowski J, Stefanov B B, Liu G, Liashenko A, Piskorz P, Komaromi I, Martin R L, Fox D J, Keith T, Al-Laham M A, Peng C Y, Nanayakkara A, Challacombe M, Gill P M W, Johnson B, Chen W, Wong M W, Gonzalez C, Pople J A 2003 Gaussian, Inc. Pittsburgh P A
[22]	Zhao Y J, Wang S S, Shan X B, Sheng L S, Hao L Q, Wang Z Y 2011 Acta Phys. Sin. 60 1 (in Chinese) [赵玉杰, 王思胜, 单晓斌, 盛六四, 郝立庆, 王振亚 2011 60 1]
[23]	Hardis J E, Ferrett T A, Southworth S H, Parr A C, Roy P, Dehmer J L, Dehmer P M, Chupka W A 1988 J. Chem. Phys. 89 812

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