DOI: 10.1063/1.1670466. Photoionization of 1,3-Butadiene, 1,2-Butadiene, Allene, and Propyne

Photoionization of 1,3-Butadiene, 1,2-Butadiene, Allene, and Propyne

10.1063/1.1670466

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

Using a photoionization mass spectrometer, the ionization potentials of the parent molecules and the appearance potentials of the fragment ions, observed below 13 eV, have been determined for 1,3-butadiene, 1,2-butadine, allene, and propyne. The ionization potentials of 1,3-butadiene are 9.07 ± 0.02 eV, 9.80 ± 0.04 eV, and 11.7 ± 0.04 eV. The adiabatic ionization potential of 1,2-butadiene is 9.23 ± 0.02 eV. The adiabatic ionization potential of allene is 9.62 ± 0.04 eV. The ionization potentials of propyne are 10.38 ± 0.02 eV and 11.30 ± 0.02 eV. The heat of formation of C3H3+ and C4H5+ is calculated to be 11.18 ± 0.04 eV and 10.45 ± 0.04 eV, respectively. Derived bond energies for the ionic states are given. The data are shown to be consistent with rearrangement of 1,3-butadiene via hydrogen migration in the excited molecular ion. At threshold for fragmentation, the C4H5+ and C3H3+ ions from 1,3-butadiene and 1,2-butadiene are identical.

Authors 2

Albert C. Parr (first)
Fred A. Elder (additional)

References 13 Referenced 58

10.1021/ja01579a003 / J. Am. Chem. Soc. (1957)
10.1021/ja01540a015 / J. Am. Chem. Soc. (1958)
{'key': '2024020904044025500_r2', 'first-page': '6', 'volume': '68', 'year': '1964', 'journal-title': 'J. Phys. Chem.'} / J. Phys. Chem. (1964)
10.1063/1.1667897 / J. Chem. Phys. (1968)
{'key': '2024020904044025500_r4', 'first-page': '186', 'volume': '34', 'year': '1961', 'journal-title': 'J. Chem. Phys.'} / J. Chem. Phys. (1961)
{'key': '2024020904044025500_r5'}
10.1039/tf9454100381 / Trans. Faraday Soc. (1945)
{'key': '2024020904044025500_r7', 'first-page': '915', 'volume': '24', 'year': '1956', 'journal-title': 'J. Chem. Phys.'} / J. Chem. Phys. (1956)
10.1063/1.1725154 / J. Chem. Phys. (1964)
{'key': '2024020904044025500_r8'}
10.1063/1.1743340 / J. Chem. Phys. (1957)
{'key': '2024020904044025500_r10'}
{'key': '2024020904044025500_r11'}

Dates

Type	When
Created	21 years, 6 months ago (Feb. 6, 2004, 2:22 p.m.)
Deposited	1 year, 6 months ago (Feb. 8, 2024, 11:07 p.m.)
Indexed	2 hours, 58 minutes ago (Sept. 3, 2025, 6:06 a.m.)
Issued	56 years, 11 months ago (Sept. 15, 1968)
Published	56 years, 11 months ago (Sept. 15, 1968)
Published Print	56 years, 11 months ago (Sept. 15, 1968)

Funders 0

None

BibTeX

@article{Parr_1968, title={Photoionization of 1,3-Butadiene, 1,2-Butadiene, Allene, and Propyne}, volume={49}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.1670466}, DOI={10.1063/1.1670466}, number={6}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Parr, Albert C. and Elder, Fred A.}, year={1968}, month=sep, pages={2659–2664} }

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