Methanol-D4

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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
Δr28.3 ± 1.0kcal/molIMREChabinyc and Brauman, 2000gas phase; Original dG=19.4 at 350K; dS based on symmetry alone.
Quantity Value Units Method Reference Comment
Δr20.7 ± 1.0kcal/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
Δr21.4 ± 1.0kcal/molIMREChabinyc and Brauman, 2000gas phase; Original dG=11.3 at 350K; dS based on symmetry alone
Quantity Value Units Method Reference Comment
Δr12.8 ± 1.0kcal/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
Δr28.2 ± 1.0kcal/molIMREChabinyc and Brauman, 2000gas phase; Original dG=18.8 at 350K; dS based of symmetry alone
Quantity Value Units Method Reference Comment
Δr20.2 ± 1.0kcal/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
Δr381.8 ± 2.0kcal/molCIDCHaas and Harrison, 1993gas phase; Both metastable and 50 eV collision energy.
Quantity Value Units Method Reference Comment
Δr375.2 ± 2.1kcal/molH-TSHaas and Harrison, 1993gas phase; Both metastable and 50 eV collision energy.

Mass spectrum (electron ionization)

Go To: Top, Reaction thermochemistry data, References, Notes

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

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Mass spectrum
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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Japan AIST/NIMC Database- Spectrum MS-NW-6800
NIST MS number 236257

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References

Go To: Top, Reaction thermochemistry data, Mass spectrum (electron ionization), Notes

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

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]


Notes

Go To: Top, Reaction thermochemistry data, Mass spectrum (electron ionization), References