Deuterium cation


Gas 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.

Quantity Value Units Method Reference Comment
gas,1 bar28.102cal/mol*KReviewChase, 1998Data last reviewed in March, 1982

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

Deuterium anion + Deuterium cation = Deuterium

By formula: D- + D+ = D2

Quantity Value Units Method Reference Comment
Δr402.30kcal/molN/AShiell, Hu, et al., 2000gas phase; exact: 402.258±0.003 kcal/mol at 298K. Acid: D2
Δr401.210 ± 0.010kcal/molD-EALykke, Murray, et al., 1991gas phase; Reported: 6086.2±0.6 cm-1. Acid taken as HD -> H+ + D-
Δr402.30kcal/molD-EALykke, Murray, et al., 1991gas phase; Acid: D2 -> D- + D+. BDE: 105.98 Gurvich, Veyts, et al.. ΔSacid 22.9
Quantity Value Units Method Reference Comment
Δr394.95 ± 0.11kcal/molH-TSLykke, Murray, et al., 1991gas phase; Reported: 6086.2±0.6 cm-1. Acid taken as HD -> H+ + D-
Δr395.50 ± 0.10kcal/molH-TSLykke, Murray, et al., 1991gas phase; Acid: D2 -> D- + D+. BDE: 105.98 Gurvich, Veyts, et al.. ΔSacid 22.9

DO- + Deuterium cation = Deuterium oxide

By formula: DO- + D+ = D2O

Quantity Value Units Method Reference Comment
Δr391.160 ± 0.060kcal/molD-EASchulz, Mead, et al., 1982gas phase; Given: 1.822549(37) eV. Derived acidity is for DOH -> DO- + H+
Δr392.60 ± 0.10kcal/molD-EASchulz, Mead, et al., 1982gas phase; For D2O -> DO- + D+. BDE: 120.96±0.05 Qian, Song, et al., 2002 ΔSacid: 23.2
Quantity Value Units Method Reference Comment
Δr384.84 ± 0.16kcal/molH-TSSchulz, Mead, et al., 1982gas phase; Given: 1.822549(37) eV. Derived acidity is for DOH -> DO- + H+
Δr385.60 ± 0.10kcal/molH-TSSchulz, Mead, et al., 1982gas phase; For D2O -> DO- + D+. BDE: 120.96±0.05 Qian, Song, et al., 2002 ΔSacid: 23.2

C2D5O- + Deuterium cation = [2H6]ethanol

By formula: C2D5O- + D+ = C2D6O

Quantity Value Units Method Reference Comment
Δr378.52 ± 0.22kcal/molD-EARamond, Davico, et al., 2000gas phase
Δr378.5 ± 2.1kcal/molG+TSDang, Motell, et al., 1993gas phase
Δr378.6 ± 2.0kcal/molCIDCHaas and Harrison, 1993gas phase; Both metastable and 50 eV collision energy.
Quantity Value Units Method Reference Comment
Δr371.34 ± 0.64kcal/molH-TSRamond, Davico, et al., 2000gas phase
Δr371.3 ± 2.0kcal/molIMREDang, Motell, et al., 1993gas phase
Δr371.4 ± 2.1kcal/molH-TSHaas and Harrison, 1993gas phase; Both metastable and 50 eV collision energy.

DO2- + Deuterium cation = D2O2

By formula: DO2- + D+ = D2O2

Quantity Value Units Method Reference Comment
Δr375.66 ± 0.83kcal/molD-EAOakes, Harding, et al., 1985gas phase; Acid: DOOH -> DOO- + H+
Δr377.6 ± 1.2kcal/molD-EAOakes, Harding, et al., 1985gas phase; For DOOD -> DOO- + D+. BDE: 89.0 Gurvich, Veyts, et al.; ΔSacid: 24.7
Quantity Value Units Method Reference Comment
Δr369.04 ± 0.93kcal/molH-TSOakes, Harding, et al., 1985gas phase; Acid: DOOH -> DOO- + H+
Δr370.2 ± 1.3kcal/molH-TSOakes, Harding, et al., 1985gas phase; For DOOD -> DOO- + D+. BDE: 89.0 Gurvich, Veyts, et al.; ΔSacid: 24.7

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.

C7D7- + Deuterium cation = Toluene-D8

By formula: C7D7- + D+ = C7D8

Quantity Value Units Method Reference Comment
Δr386.44 ± 0.67kcal/molG+TSEllison, Davico, et al., 1996gas phase
Quantity Value Units Method Reference Comment
Δr377.20 ± 0.30kcal/molIMREEllison, Davico, et al., 1996gas phase

CD3O2- + Deuterium cation = CHD3O2

By formula: CD3O2- + D+ = CHD3O2

Quantity Value Units Method Reference Comment
Δr367.90 ± 0.90kcal/molIMREBlanksby, Ramond, et al., 2001gas phase

References

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Notes

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

Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]

Shiell, Hu, et al., 2000
Shiell, R.C.; Hu, X.K.; Hu, Q.C.J.; Hepburn, J.W., Threshold Ion-pair Production spectroscopy (TIPPS) of H2 and D2, Faraday Disc. Chem. Soc., 2000, 115, 331, https://doi.org/10.1039/a909428h . [all data]

Lykke, Murray, et al., 1991
Lykke, K.R.; Murray, K.K.; Lineberger, W.C., Threshold Photodetachment of H-, Phys. Rev. A, 1991, 43, 11, 6104, https://doi.org/10.1103/PhysRevA.43.6104 . [all data]

Gurvich, Veyts, et al.
Gurvich, L.V.; Veyts, I.V.; Alcock, C.B., Hemisphere Publishing, NY, 1989, V. 1 2, Thermodynamic Properties of Individual Substances, 4th Ed. [all data]

Schulz, Mead, et al., 1982
Schulz, P.A.; Mead, R.D.; Jones, P.L.; Lineberger, W.C., OH- and OD- threshold photodetachment, J. Chem. Phys., 1982, 77, 1153. [all data]

Qian, Song, et al., 2002
Qian, X.M.; Song, Y.; Lau, K.C.; Ng, C.Y.; Liu, J.B.; Chen, W.W.; He, G.Z., A pulsed field ionization photoelectron-photoion coincidence study of the dissociative photoionization process D2O+h nu - OD++D+e(-), Chem. Phys. Lett., 2002, 353, 1-2, 19-26, https://doi.org/10.1016/S0009-2614(01)01442-7 . [all data]

Ramond, Davico, et al., 2000
Ramond, T.M.; Davico, G.E.; Schwartz, R.L.; Lineberger, W.C., Vibronic structure of alkoxy radicals via photoelectron spectroscopy, J. Chem. Phys., 2000, 112, 3, 1158-1169, https://doi.org/10.1063/1.480767 . [all data]

Dang, Motell, et al., 1993
Dang, T.T.; Motell, E.L.; Travers, M.J.; Clifford, E.P.; Ellison, G.B.; Depuy, C.H.; Bierbaum, V.M., Experimental and Computational Studies of Deuterated Ethanols - Gas-Phase Acidities, Electron Affinities and Bond Dissociation Energies, Int. J. Mass Spectrom. Ion Proc., 1993, 123, 3, 171, https://doi.org/10.1016/0168-1176(93)87096-B . [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]

Oakes, Harding, et al., 1985
Oakes, J.M.; Harding, L.B.; Ellison, G.B., The photoelectron spectroscopy of HO2-, J. Chem. Phys., 1985, 83, 5400. [all data]

Ellison, Davico, et al., 1996
Ellison, G.B.; Davico, G.E.; Bierbaum, V.M.; DePuy, C.H., Thermochemistry of theb Benzyl and Allyl Radicals and Ions, Int. J. Mass Spectrom. Ion Proc., 1996, 156, 1-2, 109-131, https://doi.org/10.1016/S0168-1176(96)04383-2 . [all data]

Blanksby, Ramond, et al., 2001
Blanksby, S.J.; Ramond, T.M.; Davico, G.E.; Nimlos, M.R.; Kato, S.; Bierbaum, V.M.; Lineberger, W.C.; Ellison, Negative-ion photoelectron spectroscopy, gas-phase acidity, and thermochemistry of the peroxyl radicals CH3OO and CH3CH2OO, J. Am. Chem. Soc., 2001, 123, 39, 9585-9596, https://doi.org/10.1021/ja010942j . [all data]


Notes

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