Deuterium oxide

• Formula: D₂O
• Molecular weight: 20.0276
• IUPAC Standard InChI: InChI=1S/H2O/h1H2/i/hD2 Copy

  
• IUPAC Standard InChIKey: XLYOFNOQVPJJNP-ZSJDYOACSA-N Copy
• CAS Registry Number: 7789-20-0
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Species with the same structure:
  • Deuterium oxide
• Isotopologues:
  • Water-t
  • Water-¹⁸O
  • Water-d
  • Water-t₂
  • Water
• Information on this page:
  • Ion clustering data
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Phase change data
  • Reaction thermochemistry data
  • Gas phase ion energetics data
  • IR Spectrum
  • Vibrational and/or electronic energy levels
  • Fluid Properties
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
  • X-ray Photoelectron Spectroscopy Database, version 5.0
• Options:
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• NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)

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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 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. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

 +  = ( • )

By formula: Cl^- + D₂O = (Cl^- • D₂O)

Bond type: Hydrogen bond (negative ion to hydride)

DO^- +  = (DO^- • )

By formula: DO^- + D₂O = (DO^- • D₂O)

(DO^- • ) +  = (DO^- • 2)

By formula: (DO^- • D₂O) + D₂O = (DO^- • 2D₂O)

(DO^- • 2) +  = (DO^- • 3)

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

(DO^- • 3) +  = (DO^- • 4)

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

(DO^- • 4) +  = (DO^- • 5)

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

D₂O₂^- + 2 = D₄O₃^-

By formula: D₂O₂^- + 2D₂O = D₄O₃^-

 +  = ( • )

By formula: F^- + D₂O = (F^- • D₂O)

Bond type: Hydrogen bond (negative ion to hydride)

 +  = ( • )

By formula: HO^- + D₂O = (HO^- • D₂O)

Bond type: Hydrogen bond (negative ion to hydride)

O^- +  = D₂O₂^-

By formula: O^- + D₂O = D₂O₂^-

References

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

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]

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]

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]

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]

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]

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]

Notes

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• Symbols used in this document:
  

  ΔrG°	Free energy of reaction at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions
  ΔrS°	Entropy of reaction at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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