Deuterium

• Formula: D₂
• Molecular weight: 4.0282035556
• IUPAC Standard InChI: InChI=1S/H2/h1H/i1+1D Copy

  
• IUPAC Standard InChIKey: UFHFLCQGNIYNRP-VVKOMZTBSA-N Copy
• CAS Registry Number: 7782-39-0
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
  The 3d structure may be viewed using Java or Javascript.
• Isotopologues:
  • tritium
  • Hydrogen
  • deuterium hydride
• Other names: D2; UN 1957
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Gas phase thermochemistry data
  • Phase change data
  • Reaction thermochemistry data
  • Gas phase ion energetics data
  • Ion clustering data
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • Constants of diatomic molecules
  • Fluid Properties
• Data at other public NIST sites:
  • Computational Chemistry Comparison and Benchmark Database
  • Gas Phase Kinetics Database
• Options:
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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.

Gas Phase Heat Capacity (Shomate Equation)

C_p° = A + B*t + C*t² + D*t³ + E/t²
H° − H°_298.15= A*t + B*t²/2 + C*t³/3 + D*t⁴/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t²/2 + D*t³/3 − E/(2*t²) + G
    C_p = heat capacity (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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Phase change 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: Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director

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

 +  =

By formula: D^- + D⁺ = D₂

(D₃⁺ • 9) +  = (D₃⁺ • 10)

By formula: (D₃⁺ • 9D₂) + D₂ = (D₃⁺ • 10D₂)

(D₃⁺ • 2) +  = (D₃⁺ • 3)

By formula: (D₃⁺ • 2D₂) + D₂ = (D₃⁺ • 3D₂)

(D₃⁺ • 3) +  = (D₃⁺ • 4)

By formula: (D₃⁺ • 3D₂) + D₂ = (D₃⁺ • 4D₂)

(D₃⁺ • 4) +  = (D₃⁺ • 5)

By formula: (D₃⁺ • 4D₂) + D₂ = (D₃⁺ • 5D₂)

(D₃⁺ • 5) +  = (D₃⁺ • 6)

By formula: (D₃⁺ • 5D₂) + D₂ = (D₃⁺ • 6D₂)

(D₃⁺ • 6) +  = (D₃⁺ • 7)

By formula: (D₃⁺ • 6D₂) + D₂ = (D₃⁺ • 7D₂)

(D₃⁺ • 7) +  = (D₃⁺ • 8)

By formula: (D₃⁺ • 7D₂) + D₂ = (D₃⁺ • 8D₂)

(D₃⁺ • 8) +  = (D₃⁺ • 9)

By formula: (D₃⁺ • 8D₂) + D₂ = (D₃⁺ • 9D₂)

(D₃⁺ • ) +  = (D₃⁺ • 2)

By formula: (D₃⁺ • D₂) + D₂ = (D₃⁺ • 2D₂)

D₃⁺ +  = (D₃⁺ • )

By formula: D₃⁺ + D₂ = (D₃⁺ • D₂)

 +  = ( • )

By formula: Co⁺ + D₂ = (Co⁺ • D₂)

Enthalpy of reaction

Gas phase ion energetics 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:
LL - Sharon G. Lias and Joel F. Liebman
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to D₂⁺ (ion structure unspecified)

Ionization energy determinations

Appearance energy determinations

Ion clustering data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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: 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: Co⁺ + D₂ = (Co⁺ • D₂)

Enthalpy of reaction

D₃⁺ +  = (D₃⁺ • )

By formula: D₃⁺ + D₂ = (D₃⁺ • D₂)

(D₃⁺ • ) +  = (D₃⁺ • 2)

By formula: (D₃⁺ • D₂) + D₂ = (D₃⁺ • 2D₂)

(D₃⁺ • 2) +  = (D₃⁺ • 3)

By formula: (D₃⁺ • 2D₂) + D₂ = (D₃⁺ • 3D₂)

(D₃⁺ • 3) +  = (D₃⁺ • 4)

By formula: (D₃⁺ • 3D₂) + D₂ = (D₃⁺ • 4D₂)

(D₃⁺ • 4) +  = (D₃⁺ • 5)

By formula: (D₃⁺ • 4D₂) + D₂ = (D₃⁺ • 5D₂)

(D₃⁺ • 5) +  = (D₃⁺ • 6)

By formula: (D₃⁺ • 5D₂) + D₂ = (D₃⁺ • 6D₂)

(D₃⁺ • 6) +  = (D₃⁺ • 7)

By formula: (D₃⁺ • 6D₂) + D₂ = (D₃⁺ • 7D₂)

(D₃⁺ • 7) +  = (D₃⁺ • 8)

By formula: (D₃⁺ • 7D₂) + D₂ = (D₃⁺ • 8D₂)

(D₃⁺ • 8) +  = (D₃⁺ • 9)

By formula: (D₃⁺ • 8D₂) + D₂ = (D₃⁺ • 9D₂)

(D₃⁺ • 9) +  = (D₃⁺ • 10)

By formula: (D₃⁺ • 9D₂) + D₂ = (D₃⁺ • 10D₂)

Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering 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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Additional Data

References

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering 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.

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

McConville and Pavese, 1988
McConville, G.T.; Pavese, F., Physicochemical problems involved in measuring thermodynamic properties of normal and equilibrium deuterium at the triple point, J. Chem. Thermodyn., 1988, 20, 337. [all data]

Clusius and Weigand, 1940
Clusius, K.; Weigand, K., Melting Curves of the Gases A, Kr, Xe, CH4, CH3D, CD4, C2H4, C2H6, COS, and PH3 to 200 Atmospheres Pressure. The Chane of Volume on Melting, Z. Phys. Chem., Abt. B, 1940, 46, 1-37. [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]

Hiraoka and Mori, 1989
Hiraoka, K.; Mori, T., Thermochemical Stabilities of D3+(D2)n with n = 1 - 10, Chem. Phys. Lett., 1989, 157, 5, 467, https://doi.org/10.1016/0009-2614(89)87282-3 . [all data]

Haynes and Armentrout, 1996
Haynes, C.L.; Armentrout, P.B., Guided Ion Beam Determination of the Co+ - H2 Bond Dissociation energy, Chem Phys. Let., 1996, 249, 1-2, 64, https://doi.org/10.1016/0009-2614(95)01337-7 . [all data]

Shiner, Gilligan, et al., 1993
Shiner, D.; Gilligan, J.M.; Cook, B.M.; Lichten, W., H₂, D₂, and HD ionization potentials by accurate calibration of several iodine lines, Phys. Rev. A, 1993, 47, 4042. [all data]

Huber and Herzberg, 1979
Huber, K.P.; Herzberg, G., Molecular Spectra and Molecular Structure. IV. Constants of Diatomic Molecules,, Van Nostrand Reinhold Co., 1979, ,1. [all data]

Takezawa and Tanaka, 1975
Takezawa, S.; Tanaka, Y., The absorption spectrum of D₂ in the vacuum-uv region, Rydberg bands, no_σ¹Σ_u⁺←X¹Σ_g⁺ and np_π¹π←X¹Σ_g⁺ with n=4-6, and the ionization energy, J. Mol. Spectrosc., 1975, 54, 379. [all data]

Lossing and Semeluk, 1969
Lossing, F.P.; Semeluk, G.P., Threshold ionization efficiency curves for monoenergetic electron impact on H₂, D₂, CH₄ and CD₄, Intern. J. Mass Spectrom. Ion Phys., 1969, 2, 408. [all data]

Villarejo, 1968
Villarejo, D., Measurement of threshold electrons in the photoionization of H₂ and D₂, J. Chem. Phys., 1968, 48, 4014. [all data]

Spohr and Puttkamer, 1967
Spohr, R.; Puttkamer, E.v., Energiemessung von Photoelektronen und Franck-Condon-Faktoren der Schwingungsubergange einiger Molekulionen, Z. Naturforsch., 1967, 22a, 705. [all data]

Dibeler, Reese, et al., 1965
Dibeler, V.H.; Reese, R.M.; Krauss, M., Massspectrometric study of photoionization. II. H₂, HD, and D₂, J. Chem. Phys., 1965, 42, 2045. [all data]

Briglia and Rapp, 1965
Briglia, D.D.; Rapp, D., Ionization of the hydrogen molecule by electron impact near threshold, Phys. Rev. Letters, 1965, 14, 245. [all data]

Olmsted, Street, et al., 1964
Olmsted, J., III; Street, K., Jr.; Newton, A.S., Excess-kinetic-energy ions in organic mass spectra, J. Chem. Phys., 1964, 40, 2114. [all data]

Notes

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), References

• Symbols used in this document:
  

  AE	Appearance energy
  S°gas,1 bar	Entropy of gas at standard conditions (1 bar)
  T	Temperature
  Ttriple	Triple point temperature
  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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