1,4-Dioxane

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Gas phase ion energetics data

Go To: Top, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias

Data compiled as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to C4H8O2+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)9.19 ± 0.01eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)797.4kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity770.0kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
9.19 ± 0.01PIPECOFraser-Monteiro, Fraser-Monteiro, et al., 1982LBLHLM
9.13 ± 0.03PIWatanabe, Nakayama, et al., 1962RDSH
9.4PEBieri, Asbrink, et al., 1982Vertical value; LBLHLM
9.43PEKimura, Katsumata, et al., 1981Vertical value; LLK
9.41PEKobayashi and Nagakura, 1973Vertical value; LLK
9.3 ± 0.1SIGol'denfel'd, Korostyshevskii, et al., 1973Vertical value; LLK
9.43PESweigart and Turner, 1972Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CHO+11.60 ± 0.10C3H7OPIPECOFraser-Monteiro, Fraser-Monteiro, et al., 1982T = 298K; LBLHLM
CH2O+11.41 ± 0.05C3H6OPIPECOFraser-Monteiro, Fraser-Monteiro, et al., 1982T = 298K; LBLHLM
CH3O+11.35 ± 0.10C3H5OPIPECOFraser-Monteiro, Fraser-Monteiro, et al., 1982T = 298K; LBLHLM
C2H3O+11.96 ± 0.10C2H5OPIPECOFraser-Monteiro, Fraser-Monteiro, et al., 1982T = 298K; LBLHLM
C2H3O+12.92?EICollin and Conde, 1966RDSH
C2H4+11.90 ± 0.102CH2O/C2H4O2PIPECOFraser-Monteiro, Fraser-Monteiro, et al., 1982T = 298K; LBLHLM
C2H4O+10.39 ± 0.05C2H4OPIPECOFraser-Monteiro, Fraser-Monteiro, et al., 1982T = 298K; LBLHLM
C2H4O+10.90?EICollin and Conde, 1966RDSH
C2H5O+10.46 ± 0.05C2H3OPIPECOFraser-Monteiro, Fraser-Monteiro, et al., 1982T = 298K; LBLHLM
C3H5O+11.20 ± 0.10CH3OPIPECOFraser-Monteiro, Fraser-Monteiro, et al., 1982T = 298K; LBLHLM
C3H6O+10.65CH2OPIPECOFraser-Monteiro, Fraser-Monteiro, et al., 1982T = 0K; LBLHLM
C3H6O+10.56 ± 0.10CH2OPIPECOFraser-Monteiro, Fraser-Monteiro, et al., 1982T = 298K; LBLHLM
C3H6O+11.CH2OEICollin and Conde, 1966RDSH
C4H7O2+10.95HEICollin and Conde, 1966RDSH

References

Go To: Top, Gas phase ion energetics data, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Fraser-Monteiro, Fraser-Monteiro, et al., 1982
Fraser-Monteiro, M.L.; Fraser-Monteiro, L.; Butler, J.J.; Baer, T.; Hass, J.R., Thermochemistry and dissociation dynamics of state-selected C4H8O2+ ions. 1. 1,4-Dioxane, J. Phys. Chem., 1982, 86, 739. [all data]

Watanabe, Nakayama, et al., 1962
Watanabe, K.; Nakayama, T.; Mottl, J., Ionization potentials of some molecules, J. Quant. Spectry. Radiative Transfer, 1962, 2, 369. [all data]

Bieri, Asbrink, et al., 1982
Bieri, G.; Asbrink, L.; Von Niessen, W., 30.4-nm He(II) photoelectron spectra of organic molecules, J. Electron Spectrosc. Relat. Phenom., 1982, 27, 129. [all data]

Kimura, Katsumata, et al., 1981
Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S., Ionization energies, Ab initio assignments, and valence electronic structure for 200 molecules in Handbook of HeI Photoelectron Spectra of Fundamental Organic Compounds, Japan Scientific Soc. Press, Tokyo, 1981. [all data]

Kobayashi and Nagakura, 1973
Kobayashi, T.; Nagakura, S., Photoelectron spectra of tetrahydropyran, 1,3-dioxane, and 1,4-dioxane, Bull. Chem. Soc. Jpn., 1973, 46, 1558. [all data]

Gol'denfel'd, Korostyshevskii, et al., 1973
Gol'denfel'd, I.V.; Korostyshevskii, I.Z.; Mischanchuk, B.G.; Pokrovskii, V.A., Determination of ionization potentials of atoms and molecules using a field mass spectrometer equipped with an energy analyzer, Dokl. Akad. Nauk SSSR, 1973, 213, 626. [all data]

Sweigart and Turner, 1972
Sweigart, D.A.; Turner, D.W., Lone pair orbitals and their interactions studied by photoelectron spectroscopy. II. Equivalent orbitals in saturated oxygen and sulfur J. Heterocycl. Chem., J. Am. Chem. Soc., 1972, 94, 5599. [all data]

Collin and Conde, 1966
Collin, J.E.; Conde, G., L'ionisation et la dissociation des polyethers cycliques soumis a l'impact electronique, Bull. Classe Sci. Acad. Roy. Belg., 1966, 52, 978. [all data]


Notes

Go To: Top, Gas phase ion energetics data, References