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CN 34-1054/N

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Dissociative photoionization of dimethyl ether in the energy range of 13.3～14.3 eV

  • Hefei National Laboratory for Physical Sciences at the Microscale, and Department of Chemical Physics, University of Science and Technology of China, Hefei 230026, China

Cite this:
https://doi.org/10.3969/j.issn.0253-2778.2020.05.010
  • Received Date: 25 April 2019
  • Accepted Date: 28 May 2019
  • Rev Recd Date: 28 May 2019
  • Publish Date: 31 May 2020
    Abstract

  • Abstract

    Dissociative photodissociation of dimethyl ether in the photon energy of 13.30～14.30 eV was studied using threshold photoelectron photoion coincidence mass spectrometry, combined with photoionization using a vacuum ultraviolet light source from synchrotron radiation. In this range, the dimethyl ether ions in B2B2 and C2A2 states were prepared, and the main fragment ions were m/z=45, 29 and 31. By subtracting the contribution of the m/z=29 fragment ions, the reliable time-of-flight profile of the m/z=31 fragment ions was obtained. Then the related kinetic energy distribution was derived from fitting the profile. Below 14.00 eV, a unique statistical dissociation was observed for the formation of the m/z=31 ions, while the dissociation mechanism was changed significantly to dual dissociation

    Abstract

    Dissociative photodissociation of dimethyl ether in the photon energy of 13.30～14.30 eV was studied using threshold photoelectron photoion coincidence mass spectrometry, combined with photoionization using a vacuum ultraviolet light source from synchrotron radiation. In this range, the dimethyl ether ions in B2B2 and C2A2 states were prepared, and the main fragment ions were m/z=45, 29 and 31. By subtracting the contribution of the m/z=29 fragment ions, the reliable time-of-flight profile of the m/z=31 fragment ions was obtained. Then the related kinetic energy distribution was derived from fitting the profile. Below 14.00 eV, a unique statistical dissociation was observed for the formation of the m/z=31 ions, while the dissociation mechanism was changed significantly to dual dissociation
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    • References(48)
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    FENG R, COOPER G, BRION C. Ionic photofragmentation and photoionization of dimethyl ether in the VUV and soft X-ray regions (8.5-80 eV)-absolute oscillator strengths for molecular and dissociative photoionization [J]. Chemical Physics, 2001, 270(2): 319-32.
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    YEE D S C, HAMNETT A, BRION C E. Electron spectroscopy using excited atoms and photons V. Penning ionization of water, alcohols and ethers [J]. Journal of Electron Spectroscopy and Related Phenomena, 1976, 8(4): 291-312.
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    POTTS A, WILLIAMS T, PRICE W. Ultra-violet photoelectron data on the complete valence shells of molecules recorded using filtered 30.4 nm radiation [J]. Faraday Discussions of the Chemical Society, 1972, 54：104-115.
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    DEWAR M J, WORLEY S. Photoelectron spectra of molecules. I. Ionization potentials of some organic molecules and their interpretation [J]. The Journal of Chemical Physics, 1969, 50(2): 654-667.
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    BAJIC＇ M, HUMSKI K, KLASINC L, et al. Substitution effects on electronic structure of thiophene [J]. Zeitschrift für Naturforschung B, 1985, 40(9): 1214-1218.
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    CARNOVALE F, LIVETT M, PEEL J. The photoelectron spectrum of the dimethyl ether-hydrogen chloride complex [J]. Journal of the American Chemical Society, 1980, 102(2): 569-573.
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    KOBAYOSHI T. A simple general tendency in photoelectron angular distributions of some monosubstituted benzenes [J]. Physics Letters A, 1978, 69(2): 105-108.
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    BENOIT F M, HARRISON A G. Predictive value of proton affinity. Ionization energy correlations involving oxygenated molecules [J]. Journal of the American Chemical Society, 1977, 99(12): 3980-3984.
    [15]
    AUE D H, WEBB H M, BOWERS M T. Proton affinities, ionization potentials, and hydrogen affinities of nitrogen and oxygen bases. Hybridization effects [J]. Journal of the American Chemical Society, 1975, 97(14): 4137-4139.
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    SCHWEIG A, THIEL W. Photoionization cross sections: He I- and He II-photoelectron spectra of homologous oxygen and sulphur compounds [J]. Molecular Physics, 1974, 27(1): 265-268.
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    CLARK S A C, BAWAGAN A O, BRION C E. The valence orbital momentum distributions and binding energy spectra of dimethyl ether by electron momentum spectroscopy: An investigation of the methyl inductive effect [J]. Chemical Physics, 1989, 137(1): 407-426.
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    BOTTER R, PECHINE J M, ROSENSTOCK H M. Photoionization of dimethyl ether and diethyl ether [J]. International Journal of Mass Spectrometry and Ion Physics, 1977, 25(1): 7-25.
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    WATANABE K. Ionization potentials of some molecules[J]. The Journal of Chemical Physics, 1957, 26(3): 542-547.
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    KOIZUMI H, SHINSAKA K, YOSHIMI T, et al. Ionization efficiencies of C3H6, C4H8, C6H12, C2H6O, and C3H8O isomers [J]. International Journal of Radiation Applications and Instrumentation. Part C. Radiation Physics and Chemistry, 1988, 32(1): 111-115.
    [24]
    KAMETA K, UKAI M, KAMOSAKI T, et al. Photoabsorption, photoionization, and neutral dissociation cross sections of dimethyl ether and ethyl methyl ether in the extreme-ultraviolet range [J]. The Journal of Chemical Physics, 1992, 96(7): 4911-4917.
    [25]
    BOWEN R D, MACCOLL A. Low energy, low temperature mass spectra 2—low energy, low temperature mass spectra of some small saturated alcohols and ethers [J]. Organic Mass Spectrometry, 1984, 19(8): 379-384.
    [26]
    LOSSING F P. Heats of formation of some isomeric [CnH2n+1O]+ ions. Substitutional effects on ion stability [J]. Journal of the American Chemical Society, 1977, 99(23): 7526-7530.
    [27]
    SOLKA B H, RUSSELL M E. Energetics of formation of some structural isomers of gaseous C2H5O+ and C2H6N+ ions [J]. The Journal of Physical Chemistry, 1974, 78(13): 1268-1273.
    [28]
    FINNEY C D, HARRISON A G. A third-derivative method for determining electron-impact onset potentials [J]. International Journal of Mass Spectrometry and Ion Physics, 1972, 9(3): 221-233.
    [29]
    MARTIN R H, LAMPE F W, TAFT R W. An electron-impact study of ionization and dissociation in methoxy- and halogen-substituted methanes [J]. Journal of the American Chemical Society, 1966, 88(7): 1353-1357.
    [30]
    HANEY M A, FRANKLIN J L. Excess energies in mass spectra of some oxygen-containing organic compounds [J]. Transactions of the Faraday Society, 1969, 65: 1794-1804.
    [31]
    BUTLER J J, HOLLAND D M P, PARR A C, et al. A threshold photoelectron-photoion coincidence spectrometric study of dimethyl ether (CH3OCH3) [J]. International Journal of Mass Spectrometry and Ion Processes, 1984, 58: 1-14.
    [32]
    MUNSON M S B, FRANKLIN J L. Energetics of some gaseous oxygenated organic ions [J]. Journal of Physical Chemistry, 1964, 68(11): 3191-3196.
    [33]
    HARRISON A G, IVKO A, RAALTE D V. Energetics of formation of some oxygenated ions and the proton affinities of carbonyl compounds [J]. Canadian Journal of Chemistry, 1966, 44(14): 1625-1632.
    [34]
    DILL J D, FISCHER C L, MCLAFFERTY F W. Collisional activation and theoretical studies of gaseous COH+3 ions [J]. Journal of the American Chemical Society, 1979, 101(22): 6531-6534.
    [35]
    BOUMA W J, NOBES R H, RADOM L. On the nature of the ‘methoxy’ cation [J]. Organic Mass Spectrometry, 1982, 17(7): 315-317.
    [36]
    FERGUSON E E. Unimolecular decomposition of H3CONO+ [J]. Chemical Physics Letters, 1987, 138(5): 450-454.
    [37]
    NISHIMURA T, ZHA Q, DAS P R, et al. On the dissociation dynamics of energy-selected dimethylether ions [J]. International Journal of Mass Spectrometry and Ion Processes, 1992, 113(3): 177-189.
    [38]
    JARVIS G, WEITZEL K M, MALOW M, et al. High-resolution pulsed field ionization photoelectron-photoion coincidence spectroscopy using synchrotron radiation [J]. Review of Scientific Instruments, 1999, 70(10): 3892-3906.
    [39]
    STOCKBAUER R. Threshold electron-photoion coincidence mass spectrometric study of CH4, CD4, C2H6, and C2D6 [J]. The Journal of Chemical Physics, 1973, 58(9): 3800-3815.
    [40]
    WU X, ZHOU X, HEMBERGER P, et al. Dissociative photoionization of dimethyl carbonate: The more it is cut, the bigger the fragment ion [J]. The Journal of Physical Chemistry A, 2017, 121(14): 2748-2759.
    [41]
    WU X K, TANG X F, ZHOU X G, et al. Dissociation dynamics of energy-selected ions using threshold photoelectron-photoion coincidence velocity imaging [J]. Chinese Journal of Chemical Physics, 2019, 32(1): 11-22.
    [42]
    TANG X, ZHOU X, SUN Z, et al. Dissociation of internal energy-selected methyl bromide ion revealed from threshold photoelectron-photoion coincidence velocity imaging [J]. The Journal of Chemical Physics, 2014, 140(4): 044312.
    [43]
    WU X, YU T, CHEN Y, et al. Dissociative photoionization of CF3Cl via the C2E and D2E states: competition of the C-F and C-Cl bond cleavages [J]. Physical Chemistry Chemical Physics, 2019, 21(9): 4998-5005.
    [44]
    孙中发，高治，吴向坤，等.N2O+离子B2П态的光谱与光解离动力学[J].物理化学学报，2015，31（5）：829-835.
    [45]
    TANG X, ZHOU X, NIU M, et al. A threshold photoelectron-photoion coincidence spectrometer with double velocity imaging using synchrotron radiation [J]. Review of Scientific Instruments, 2009, 80(11): 113101.
    [46]
    WANG S, KONG R, SHAN X, et al. Performance of the atomic and molecular physics beamline at the National Synchrotron Radiation Laboratory [J]. Journal of Synchrotron Radiation, 2006, 13(6): 415-420.
    [47]
    LARRIEU C, CHAILLET M, DARGELOS A. Theoretical study of the electronic spectrum of CHF3 [J]. The Journal of Chemical Physics, 1991, 94(2): 1327-1331.
    [48]
    吴曼曼，唐小锋，牛铭理，等.氯甲烷分子在13至17eV激发能量范围内的电离解离[J].物理化学学报，2011，27（12）：2749-2754.)
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    [1]
    PEETERS Z, RODGERS S, CHARNLEY S, et al. Astrochemistry of dimethyl ether [J]. Astronomy & Astrophysics, 2006, 445(1): 197-204.
    [2]
    GALLAGHER J, BRION C, SAMSON J, et al. Absolute cross sections for molecular photoabsorption, partial photoionization, and ionic photofragmentation processes [J]. Journal of Physical and Chemical Reference Data, 1988, 17(1): 9-153.
    [3]
    FENG R, COOPER G, BRION C. Ionic photofragmentation and photoionization of dimethyl ether in the VUV and soft X-ray regions (8.5-80 eV)-absolute oscillator strengths for molecular and dissociative photoionization [J]. Chemical Physics, 2001, 270(2): 319-32.
    [4]
    YEE D S C, HAMNETT A, BRION C E. Electron spectroscopy using excited atoms and photons V. Penning ionization of water, alcohols and ethers [J]. Journal of Electron Spectroscopy and Related Phenomena, 1976, 8(4): 291-312.
    [5]
    POTTS A, WILLIAMS T, PRICE W. Ultra-violet photoelectron data on the complete valence shells of molecules recorded using filtered 30.4 nm radiation [J]. Faraday Discussions of the Chemical Society, 1972, 54：104-115.
    [6]
    BIERI G, ASBRINK L, VONNIESSEN W. 30.4-nm He(II) photo-electron spectra of organic-molecules: Part VII. Miscellaneous compounds [J]. Journal of Electron Spectroscopy and Related Phenomena, 1982, 27(2): 129-178.
    [7]
    AUE D H, WEBB H M, DAVIDSON W R, et al. Proton affinities and photoelectron-spectra of three-membered-ring heterocycles [J]. Journal of the American Chemical Society, 1980, 102(16): 5151-5157.
    [8]
    COCKSEY B J, ELAND J H D, DANBY C J. The effect of alkyl substitution on ionisation potential [J]. Journal of the Chemical Society B: Physical Organic, 1971(0): 790-792.
    [9]
    DEWAR M J, WORLEY S. Photoelectron spectra of molecules. I. Ionization potentials of some organic molecules and their interpretation [J]. The Journal of Chemical Physics, 1969, 50(2): 654-667.
    [10]
    BAJIC＇ M, HUMSKI K, KLASINC L, et al. Substitution effects on electronic structure of thiophene [J]. Zeitschrift für Naturforschung B, 1985, 40(9): 1214-1218.
    [11]
    UTSUNOMIYA C, KOBAYASHI T, NAGAKURA S. Photoelectron angular distribution measurements for some aliphatic alcohols, amines, and halides [J]. Bulletin of the Chemical Society of Japan, 1980, 53(5): 1216-1220.
    [12]
    CARNOVALE F, LIVETT M, PEEL J. The photoelectron spectrum of the dimethyl ether-hydrogen chloride complex [J]. Journal of the American Chemical Society, 1980, 102(2): 569-573.
    [13]
    KOBAYOSHI T. A simple general tendency in photoelectron angular distributions of some monosubstituted benzenes [J]. Physics Letters A, 1978, 69(2): 105-108.
    [14]
    BENOIT F M, HARRISON A G. Predictive value of proton affinity. Ionization energy correlations involving oxygenated molecules [J]. Journal of the American Chemical Society, 1977, 99(12): 3980-3984.
    [15]
    AUE D H, WEBB H M, BOWERS M T. Proton affinities, ionization potentials, and hydrogen affinities of nitrogen and oxygen bases. Hybridization effects [J]. Journal of the American Chemical Society, 1975, 97(14): 4137-4139.
    [16]
    BOCK H, MOLLRE P, BECKER G, et al. Photoelectron spectra and molecular properties: XX. Dimethyl ether, methoxysilane, and disiloxane [J]. Journal of Organometallic Chemistry, 1973, 61:113-125.
    [17]
    CRADOCK S, WHITEFORD R A. Photoelectron spectra of the methyl, silyl and germyl derivatives of the group VI elements [J]. Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics, 1972, 68(0): 281-288.
    [18]
    SCHWEIG A, THIEL W. Photoionization cross sections: He I- and He II-photoelectron spectra of homologous oxygen and sulphur compounds [J]. Molecular Physics, 1974, 27(1): 265-268.
    [19]
    CLARK S A C, BAWAGAN A O, BRION C E. The valence orbital momentum distributions and binding energy spectra of dimethyl ether by electron momentum spectroscopy: An investigation of the methyl inductive effect [J]. Chemical Physics, 1989, 137(1): 407-426.
    [20]
    ZHENG Y, WEIGOLD E, BRION C E, et al. The valence electronic structure of dimethyl ether — complete valence shell binding energy spectra and momentum distributions [J]. Journal of Electron Spectroscopy and Related Phenomena, 1990, 53(3): 153-175.
    [21]
    BOTTER R, PECHINE J M, ROSENSTOCK H M. Photoionization of dimethyl ether and diethyl ether [J]. International Journal of Mass Spectrometry and Ion Physics, 1977, 25(1): 7-25.
    [22]
    WATANABE K. Ionization potentials of some molecules[J]. The Journal of Chemical Physics, 1957, 26(3): 542-547.
    [23]
    KOIZUMI H, SHINSAKA K, YOSHIMI T, et al. Ionization efficiencies of C3H6, C4H8, C6H12, C2H6O, and C3H8O isomers [J]. International Journal of Radiation Applications and Instrumentation. Part C. Radiation Physics and Chemistry, 1988, 32(1): 111-115.
    [24]
    KAMETA K, UKAI M, KAMOSAKI T, et al. Photoabsorption, photoionization, and neutral dissociation cross sections of dimethyl ether and ethyl methyl ether in the extreme-ultraviolet range [J]. The Journal of Chemical Physics, 1992, 96(7): 4911-4917.
    [25]
    BOWEN R D, MACCOLL A. Low energy, low temperature mass spectra 2—low energy, low temperature mass spectra of some small saturated alcohols and ethers [J]. Organic Mass Spectrometry, 1984, 19(8): 379-384.
    [26]
    LOSSING F P. Heats of formation of some isomeric [CnH2n+1O]+ ions. Substitutional effects on ion stability [J]. Journal of the American Chemical Society, 1977, 99(23): 7526-7530.
    [27]
    SOLKA B H, RUSSELL M E. Energetics of formation of some structural isomers of gaseous C2H5O+ and C2H6N+ ions [J]. The Journal of Physical Chemistry, 1974, 78(13): 1268-1273.
    [28]
    FINNEY C D, HARRISON A G. A third-derivative method for determining electron-impact onset potentials [J]. International Journal of Mass Spectrometry and Ion Physics, 1972, 9(3): 221-233.
    [29]
    MARTIN R H, LAMPE F W, TAFT R W. An electron-impact study of ionization and dissociation in methoxy- and halogen-substituted methanes [J]. Journal of the American Chemical Society, 1966, 88(7): 1353-1357.
    [30]
    HANEY M A, FRANKLIN J L. Excess energies in mass spectra of some oxygen-containing organic compounds [J]. Transactions of the Faraday Society, 1969, 65: 1794-1804.
    [31]
    BUTLER J J, HOLLAND D M P, PARR A C, et al. A threshold photoelectron-photoion coincidence spectrometric study of dimethyl ether (CH3OCH3) [J]. International Journal of Mass Spectrometry and Ion Processes, 1984, 58: 1-14.
    [32]
    MUNSON M S B, FRANKLIN J L. Energetics of some gaseous oxygenated organic ions [J]. Journal of Physical Chemistry, 1964, 68(11): 3191-3196.
    [33]
    HARRISON A G, IVKO A, RAALTE D V. Energetics of formation of some oxygenated ions and the proton affinities of carbonyl compounds [J]. Canadian Journal of Chemistry, 1966, 44(14): 1625-1632.
    [34]
    DILL J D, FISCHER C L, MCLAFFERTY F W. Collisional activation and theoretical studies of gaseous COH+3 ions [J]. Journal of the American Chemical Society, 1979, 101(22): 6531-6534.
    [35]
    BOUMA W J, NOBES R H, RADOM L. On the nature of the ‘methoxy’ cation [J]. Organic Mass Spectrometry, 1982, 17(7): 315-317.
    [36]
    FERGUSON E E. Unimolecular decomposition of H3CONO+ [J]. Chemical Physics Letters, 1987, 138(5): 450-454.
    [37]
    NISHIMURA T, ZHA Q, DAS P R, et al. On the dissociation dynamics of energy-selected dimethylether ions [J]. International Journal of Mass Spectrometry and Ion Processes, 1992, 113(3): 177-189.
    [38]
    JARVIS G, WEITZEL K M, MALOW M, et al. High-resolution pulsed field ionization photoelectron-photoion coincidence spectroscopy using synchrotron radiation [J]. Review of Scientific Instruments, 1999, 70(10): 3892-3906.
    [39]
    STOCKBAUER R. Threshold electron-photoion coincidence mass spectrometric study of CH4, CD4, C2H6, and C2D6 [J]. The Journal of Chemical Physics, 1973, 58(9): 3800-3815.
    [40]
    WU X, ZHOU X, HEMBERGER P, et al. Dissociative photoionization of dimethyl carbonate: The more it is cut, the bigger the fragment ion [J]. The Journal of Physical Chemistry A, 2017, 121(14): 2748-2759.
    [41]
    WU X K, TANG X F, ZHOU X G, et al. Dissociation dynamics of energy-selected ions using threshold photoelectron-photoion coincidence velocity imaging [J]. Chinese Journal of Chemical Physics, 2019, 32(1): 11-22.
    [42]
    TANG X, ZHOU X, SUN Z, et al. Dissociation of internal energy-selected methyl bromide ion revealed from threshold photoelectron-photoion coincidence velocity imaging [J]. The Journal of Chemical Physics, 2014, 140(4): 044312.
    [43]
    WU X, YU T, CHEN Y, et al. Dissociative photoionization of CF3Cl via the C2E and D2E states: competition of the C-F and C-Cl bond cleavages [J]. Physical Chemistry Chemical Physics, 2019, 21(9): 4998-5005.
    [44]
    孙中发，高治，吴向坤，等.N2O+离子B2П态的光谱与光解离动力学[J].物理化学学报，2015，31（5）：829-835.
    [45]
    TANG X, ZHOU X, NIU M, et al. A threshold photoelectron-photoion coincidence spectrometer with double velocity imaging using synchrotron radiation [J]. Review of Scientific Instruments, 2009, 80(11): 113101.
    [46]
    WANG S, KONG R, SHAN X, et al. Performance of the atomic and molecular physics beamline at the National Synchrotron Radiation Laboratory [J]. Journal of Synchrotron Radiation, 2006, 13(6): 415-420.
    [47]
    LARRIEU C, CHAILLET M, DARGELOS A. Theoretical study of the electronic spectrum of CHF3 [J]. The Journal of Chemical Physics, 1991, 94(2): 1327-1331.
    [48]
    吴曼曼，唐小锋，牛铭理，等.氯甲烷分子在13至17eV激发能量范围内的电离解离[J].物理化学学报，2011，27（12）：2749-2754.)
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