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Experimental and theoretical study of ArCO cluster

Shan Xiao-Bin Zhao Yu-Jie Kong Rui-Hong Wang Si-Sheng Sheng Liu-Si Huang Ming-Qiang Wang Zhen-Ya

Experimental and theoretical study of ArCO cluster

Shan Xiao-Bin, Zhao Yu-Jie, Kong Rui-Hong, Wang Si-Sheng, Sheng Liu-Si, Huang Ming-Qiang, Wang Zhen-Ya
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  • 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.
    • Funds: Project supported by the National Natural Science Foundation of China (Grant No. 10374048).
    [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 物理学报 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

  • [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 物理学报 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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  • Received Date:  18 March 2012
  • Accepted Date:  23 October 2012
  • Published Online:  05 March 2013

Experimental and theoretical study of ArCO cluster

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

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.

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