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Deuterium oxide

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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 as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias

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

DO- + Deuterium cation = Deuterium oxide

By formula: DO- + D+ = D2O

Quantity Value Units Method Reference Comment
Deltar1636.61 ± 0.25kJ/molD-EASchulz, Mead, et al., 1982gas phase; Given: 1.822549(37) eV. Derived acidity is for DOH -> DO- + H+; B
Deltar1642.6 ± 0.42kJ/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; B
Quantity Value Units Method Reference Comment
Deltar1610.2 ± 0.67kJ/molH-TSSchulz, Mead, et al., 1982gas phase; Given: 1.822549(37) eV. Derived acidity is for DOH -> DO- + H+; B
Deltar1613.4 ± 0.42kJ/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; B

Fluorine anion + Deuterium oxide = (Fluorine anion bullet Deuterium oxide)

By formula: F- + D2O = (F- bullet D2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar96.2 ± 8.4kJ/molIMRELarson and McMahon, 1988gas phase; Anchored to Arshadi, Yamdagni, et al., 1970: HOH..F- + DOD <=> DOD..F- + HOH, Keq=0.66; B
Quantity Value Units Method Reference Comment
Deltar74.5 ± 8.4kJ/molIMRELarson and McMahon, 1988gas phase; Anchored to Arshadi, Yamdagni, et al., 1970: HOH..F- + DOD <=> DOD..F- + HOH, Keq=0.66; B,M

DO- + Deuterium oxide = (DO- bullet Deuterium oxide)

By formula: DO- + D2O = (DO- bullet D2O)

Quantity Value Units Method Reference Comment
Deltar112.1 ± 2.9kJ/molTDAsMeot-ner and Sieck, 1986gas phase; B
Deltar94.1 ± 8.4kJ/molTDAsArshadi and Kebarle, 1970gas phase; B
Quantity Value Units Method Reference Comment
Deltar84.1 ± 4.6kJ/molTDAsMeot-ner and Sieck, 1986gas phase; B
Deltar70.7 ± 8.4kJ/molTDAsArshadi and Kebarle, 1970gas phase; B

Chlorine anion + Deuterium oxide = (Chlorine anion bullet Deuterium oxide)

By formula: Cl- + D2O = (Cl- bullet D2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar61.50 ± 0.84kJ/molIMRELarson and McMahon, 1988gas phase; Anchored to Keesee and Castleman, 19802: HOH..Cl- + DOD <=> DOD..Cl- + HOH, Keq=0.77; B

Hydroxyl anion + Deuterium oxide = (Hydroxyl anion bullet Deuterium oxide)

By formula: HO- + D2O = (HO- bullet D2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar112.kJ/molPHPMSMeot-ner and Sieck, 1986gas phase; OD-, D2O; M
Quantity Value Units Method Reference Comment
Deltar92.9J/mol*KPHPMSMeot-ner and Sieck, 1986gas phase; OD-, D2O; M

(DO- bullet 2Deuterium oxide) + Deuterium oxide = (DO- bullet 3Deuterium oxide)

By formula: (DO- bullet 2D2O) + D2O = (DO- bullet 3D2O)

Quantity Value Units Method Reference Comment
Deltar63.2 ± 4.2kJ/molTDAsArshadi and Kebarle, 1970gas phase; B
Quantity Value Units Method Reference Comment
Deltar32.2kJ/molTDAsArshadi and Kebarle, 1970gas phase; B

(DO- bullet 3Deuterium oxide) + Deuterium oxide = (DO- bullet 4Deuterium oxide)

By formula: (DO- bullet 3D2O) + D2O = (DO- bullet 4D2O)

Quantity Value Units Method Reference Comment
Deltar59.4 ± 4.2kJ/molTDAsArshadi and Kebarle, 1970gas phase; B
Quantity Value Units Method Reference Comment
Deltar23.0kJ/molTDAsArshadi and Kebarle, 1970gas phase; B

(DO- bullet 4Deuterium oxide) + Deuterium oxide = (DO- bullet 5Deuterium oxide)

By formula: (DO- bullet 4D2O) + D2O = (DO- bullet 5D2O)

Quantity Value Units Method Reference Comment
Deltar59.0 ± 4.2kJ/molTDAsArshadi and Kebarle, 1970gas phase; B
Quantity Value Units Method Reference Comment
Deltar17.6kJ/molTDAsArshadi and Kebarle, 1970gas phase; B

(DO- bullet Deuterium oxide) + Deuterium oxide = (DO- bullet 2Deuterium oxide)

By formula: (DO- bullet D2O) + D2O = (DO- bullet 2D2O)

Quantity Value Units Method Reference Comment
Deltar68.6 ± 4.2kJ/molTDAsArshadi and Kebarle, 1970gas phase; B
Quantity Value Units Method Reference Comment
Deltar44.77kJ/molTDAsArshadi and Kebarle, 1970gas phase; B

O- + Deuterium oxide = D2O2-

By formula: O- + D2O = D2O2-

Quantity Value Units Method Reference Comment
Deltar101. ± 7.5kJ/molPDisDeyerl, Clements, et al., 2001gas phase; B

D2O2- + 2Deuterium oxide = D4O3-

By formula: D2O2- + 2D2O = D4O3-

Quantity Value Units Method Reference Comment
Deltar78.2 ± 7.5kJ/molLPESClements, Luong, et al., 2001gas phase; B

References

Go To: Top, Reaction thermochemistry data, Notes

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

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]

Larson and McMahon, 1988
Larson, J.W.; McMahon, T.B., Equilibrium Isotope Effects on the Hydration of Gas Phase Ions. The Effect of H-Bond Formation on Deuterium Isotopic Fractionation Factors for H3O+,H5O2+,F(HOH)-, and Cl(HOH)-, J. Am. Chem. Soc., 1988, 110, 4, 1087, https://doi.org/10.1021/ja00212a015 . [all data]

Arshadi, Yamdagni, et al., 1970
Arshadi, M.; Yamdagni, R.; Kebarle, P., Hydration of Halide Negative Ions in the Gas Phase. II. Comparison of Hydration Energies for the Alkali Positive and Halide Negative Ions, J. Phys. Chem., 1970, 74, 7, 1475, https://doi.org/10.1021/j100702a014 . [all data]

Meot-ner and Sieck, 1986
Meot-ner, M.; Sieck, L.W., Relative acidities of water and methanol, and the stabilities of the dimer adducts, J. Phys. Chem., 1986, 90, 6687. [all data]

Arshadi and Kebarle, 1970
Arshadi, M.; Kebarle, P., Hydration of OH- and O2- in the Gas Phase. Comparative Solvation of OH- by Water and the Hydrogen Halides. Effect of Acidity, J. Phys. Chem., 1970, 74, 7, 1483, https://doi.org/10.1021/j100702a015 . [all data]

Keesee and Castleman, 1980
Keesee, R.G.; Castleman, A.W., Jr., Heats of formation of SO2Cl- and (SO2)2Cl-, J. Am. Chem. Soc., 1980, 102, 1446. [all data]

Deyerl, Clements, et al., 2001
Deyerl, H.J.; Clements, T.G.; Luong, A.K.; Continetti, R.E., Transition state dynamics of the OH+OH - O+H2O reaction studied by dissociative photodetachment of H2O2-, J. Chem. Phys., 2001, 115, 15, 6931-6940, https://doi.org/10.1063/1.1404148 . [all data]

Clements, Luong, et al., 2001
Clements, T.G.; Luong, A.K.; Deyerl, H.J.; Continetti, R.E., Dissociative photodetachment studies of O-(H2O)(2), OH- (H2O)(2), and the deuterated isotopomers: Energetics and three- body dissociation dynamics, J. Chem. Phys., 2001, 114, 19, 8436-8444, https://doi.org/10.1063/1.1366332 . [all data]


Notes

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