Methanol-D4

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Condensed phase thermochemistry data

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

Data compiled by: Eugene S. Domalski and Elizabeth D. Hearing

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference
87.9298.15Filatov and Afanas'ev, 1992

Reaction thermochemistry data

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

Data compiled by: John E. Bartmess

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

CH3O- + Methanol-D4 = C2H4D7O2-

By formula: CH3O- + CD4O = C2H4D7O2-

Quantity Value Units Method Reference Comment
Δr118. ± 4.2kJ/molIMREChabinyc and Brauman, 2000gas phase; Original dG=19.4 at 350K; dS based on symmetry alone.
Quantity Value Units Method Reference Comment
Δr86.6 ± 4.2kJ/molIMREChabinyc and Brauman, 2000gas phase; Original dG=19.4 at 350K; dS based on symmetry alone.

C2H- + Methanol-D4 = C3H2D5-

By formula: C2H- + CD4O = C3H2D5-

Quantity Value Units Method Reference Comment
Δr89.5 ± 4.2kJ/molIMREChabinyc and Brauman, 2000gas phase; Original dG=11.3 at 350K; dS based on symmetry alone
Quantity Value Units Method Reference Comment
Δr53.6 ± 4.2kJ/molIMREChabinyc and Brauman, 2000gas phase; Original dG=11.3 at 350K; dS based on symmetry alone

CD3O- + Methanol-D4 = C2HD7O2-

By formula: CD3O- + CD4O = C2HD7O2-

Quantity Value Units Method Reference Comment
Δr118. ± 4.2kJ/molIMREChabinyc and Brauman, 2000gas phase; Original dG=18.8 at 350K; dS based of symmetry alone
Quantity Value Units Method Reference Comment
Δr84.5 ± 4.2kJ/molIMREChabinyc and Brauman, 2000gas phase; Original dG=18.8 at 350K; dS based of symmetry alone

CD3O- + Deuterium cation = Methanol-D4

By formula: CD3O- + D+ = CD4O

Quantity Value Units Method Reference Comment
Δr1597. ± 8.4kJ/molCIDCHaas and Harrison, 1993gas phase; Both metastable and 50 eV collision energy.
Quantity Value Units Method Reference Comment
Δr1570. ± 8.8kJ/molH-TSHaas and Harrison, 1993gas phase; Both metastable and 50 eV collision energy.

Gas phase ion energetics data

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

Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

IE (eV) Method Reference Comment
11.00PINishimura, Niwa, et al., 1980LLK
10.885 ± 0.002PEMacNeil and Dixon, 1977LLK
10.98EILifshitz, Shapiro, et al., 1969RDSH

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CDO+14.88?PINishimura, Niwa, et al., 1980LLK
CD3+14.88ODPINishimura, Niwa, et al., 1980LLK
CD3O+12.71DPINishimura, Niwa, et al., 1980LLK

Ion clustering data

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

Data compiled by: John E. Bartmess

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

CD3O- + Methanol-D4 = C2HD7O2-

By formula: CD3O- + CD4O = C2HD7O2-

Quantity Value Units Method Reference Comment
Δr118. ± 4.2kJ/molIMREChabinyc and Brauman, 2000gas phase; Original dG=18.8 at 350K; dS based of symmetry alone
Quantity Value Units Method Reference Comment
Δr84.5 ± 4.2kJ/molIMREChabinyc and Brauman, 2000gas phase; Original dG=18.8 at 350K; dS based of symmetry alone

CH3O- + Methanol-D4 = C2H4D7O2-

By formula: CH3O- + CD4O = C2H4D7O2-

Quantity Value Units Method Reference Comment
Δr118. ± 4.2kJ/molIMREChabinyc and Brauman, 2000gas phase; Original dG=19.4 at 350K; dS based on symmetry alone.
Quantity Value Units Method Reference Comment
Δr86.6 ± 4.2kJ/molIMREChabinyc and Brauman, 2000gas phase; Original dG=19.4 at 350K; dS based on symmetry alone.

C2H- + Methanol-D4 = C3H2D5-

By formula: C2H- + CD4O = C3H2D5-

Quantity Value Units Method Reference Comment
Δr89.5 ± 4.2kJ/molIMREChabinyc and Brauman, 2000gas phase; Original dG=11.3 at 350K; dS based on symmetry alone
Quantity Value Units Method Reference Comment
Δr53.6 ± 4.2kJ/molIMREChabinyc and Brauman, 2000gas phase; Original dG=11.3 at 350K; dS based on symmetry alone

References

Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Notes

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

Filatov and Afanas'ev, 1992
Filatov, V.A.; Afanas'ev, V.N., Differential heat-flux calorimeter, Izv. Vysshikh. Uchebn. Zaved., Khim. Khim. Tekhnol., 1992, 35(8), 97-100. [all data]

Chabinyc and Brauman, 2000
Chabinyc, M.L.; Brauman, J.I., Unusual ionic hydrogen bonds: Complexes of acetylides and fluoroform, J. Am. Chem. Soc., 2000, 122, 36, 8739-8745, https://doi.org/10.1021/ja000806z . [all data]

Haas and Harrison, 1993
Haas, M.J.; Harrison, A.G., The Fragmentation of Proton-Bound Cluster Ions and the Gas-Phase Acidities of Alcohols, Int. J. Mass Spectrom. Ion Proc., 1993, 124, 2, 115, https://doi.org/10.1016/0168-1176(93)80003-W . [all data]

Nishimura, Niwa, et al., 1980
Nishimura, T.; Niwa, Y.; Tsuchiya, T.; Nozoye, H., Ionic dissociation of methanol studied by photoelectron-photoion coincidence spectroscopy, J. Chem. Phys., 1980, 72, 2222. [all data]

MacNeil and Dixon, 1977
MacNeil, K.A.G.; Dixon, R.N., High-resolution photoelectron spectroscopy of methanol and its deuterated derivatives: Internal rotation in the ground ionic state, J. Electron Spectrosc. Relat. Phenom., 1977, 11, 315. [all data]

Lifshitz, Shapiro, et al., 1969
Lifshitz, C.; Shapiro, M.; Sternberg, R., Isotopic effects on metastable transitions. IV. Isotopic methanols, Israel J. Chem., 1969, 7, 391. [all data]


Notes

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