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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
Deltar402.30kcal/molN/AShiell, Hu, et al., 2000gas phase; exact: 402.258±0.003 kcal/mol at 298K. Acid: D2
Deltar401.210 ± 0.010kcal/molD-EALykke, Murray, et al., 1991gas phase; Reported: 6086.2±0.6 cm-1. Acid taken as HD -> H+ + D-
Deltar402.30kcal/molD-EALykke, Murray, et al., 1991gas phase; Acid: D2 -> D- + D+. BDE: 105.98 Gurvich, Veyts, et al.. «DELTA»Sacid 22.9
Quantity Value Units Method Reference Comment
Deltar394.95 ± 0.11kcal/molH-TSLykke, Murray, et al., 1991gas phase; Reported: 6086.2±0.6 cm-1. Acid taken as HD -> H+ + D-
Deltar395.50 ± 0.10kcal/molH-TSLykke, Murray, et al., 1991gas phase; Acid: D2 -> D- + D+. BDE: 105.98 Gurvich, Veyts, et al.. «DELTA»Sacid 22.9

DO- + Deuterium cation = Deuterium oxide

By formula: DO- + D+ = D2O

Quantity Value Units Method Reference Comment
Deltar391.160 ± 0.060kcal/molD-EASchulz, Mead, et al., 1982gas phase; Given: 1.822549(37) eV. Derived acidity is for DOH -> DO- + H+
Deltar392.60 ± 0.10kcal/molD-EASchulz, Mead, et al., 1982gas phase; For D2O -> DO- + D+. BDE: 120.96±0.05 Qian, Song, et al., 2002 «DELTA»Sacid: 23.2
Quantity Value Units Method Reference Comment
Deltar384.84 ± 0.16kcal/molH-TSSchulz, Mead, et al., 1982gas phase; Given: 1.822549(37) eV. Derived acidity is for DOH -> DO- + H+
Deltar385.60 ± 0.10kcal/molH-TSSchulz, Mead, et al., 1982gas phase; For D2O -> DO- + D+. BDE: 120.96±0.05 Qian, Song, et al., 2002 «DELTA»Sacid: 23.2

C2D5O- + Deuterium cation = [2H6]ethanol

By formula: C2D5O- + D+ = C2D6O

Quantity Value Units Method Reference Comment
Deltar378.52 ± 0.22kcal/molD-EARamond, Davico, et al., 2000gas phase
Deltar378.5 ± 2.1kcal/molG+TSDang, Motell, et al., 1993gas phase
Deltar378.6 ± 2.0kcal/molCIDCHaas and Harrison, 1993gas phase; Both metastable and 50 eV collision energy.
Quantity Value Units Method Reference Comment
Deltar371.34 ± 0.64kcal/molH-TSRamond, Davico, et al., 2000gas phase
Deltar371.3 ± 2.0kcal/molIMREDang, Motell, et al., 1993gas phase
Deltar371.4 ± 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
Deltar375.66 ± 0.83kcal/molD-EAOakes, Harding, et al., 1985gas phase; Acid: DOOH -> DOO- + H+
Deltar377.6 ± 1.2kcal/molD-EAOakes, Harding, et al., 1985gas phase; For DOOD -> DOO- + D+. BDE: 89.0 Gurvich, Veyts, et al.; «DELTA»Sacid: 24.7
Quantity Value Units Method Reference Comment
Deltar369.04 ± 0.93kcal/molH-TSOakes, Harding, et al., 1985gas phase; Acid: DOOH -> DOO- + H+
Deltar370.2 ± 1.3kcal/molH-TSOakes, Harding, et al., 1985gas phase; For DOOD -> DOO- + D+. BDE: 89.0 Gurvich, Veyts, et al.; «DELTA»Sacid: 24.7

CD3O- + Deuterium cation = Methanol-D4

By formula: CD3O- + D+ = CD4O

Quantity Value Units Method Reference Comment
Deltar381.8 ± 2.0kcal/molCIDCHaas and Harrison, 1993gas phase; Both metastable and 50 eV collision energy.
Quantity Value Units Method Reference Comment
Deltar375.2 ± 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
Deltar386.44 ± 0.67kcal/molG+TSEllison, Davico, et al., 1996gas phase
Quantity Value Units Method Reference Comment
Deltar377.20 ± 0.30kcal/molIMREEllison, Davico, et al., 1996gas phase

CD3O2- + Deuterium cation = CHD3O2

By formula: CD3O2- + D+ = CHD3O2

Quantity Value Units Method Reference Comment
Deltar367.90 ± 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

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