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
  • Constants of diatomic molecules
  • References
  • Notes
• Other data available:
  • Gas phase ion energetics data
  • Ion clustering data
  • Mass spectrum (electron ionization)
  • Fluid Properties
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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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

Constants of diatomic molecules

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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: Klaus P. Huber and Gerhard H. Herzberg

Data collected through November, 1976

Notes

References

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Constants of diatomic molecules, 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]

Cunningham and Dieke, 1950
Cunningham; Dieke, Johns Hopkins University, Department of Physics, Rpt. NYO-692, 1950, 1. [all data]

Dieke, 1935
Dieke, G.H., The triplet 3p complex of the hydrogen molecule, Phys. Rev., 1935, 48, 610. [all data]

Dieke, 1935, 2
Dieke, G.H., The 3p³Σ→2s³Σ bands of HD and D₂, Phys. Rev., 1935, 48, 606. [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]

Dabrowski and Herzberg, 1974
Dabrowski, I.; Herzberg, G., The absorption spectrum of D₂ from 1100 to 840 Å, Can. J. Phys., 1974, 52, 1110. [all data]

Chupka, Dehmer, et al., 1975
Chupka, W.A.; Dehmer, P.M.; Jivery, W.T., High resolution photoionization study of ion-pair formation in H₂, HD, and D₂, J. Chem. Phys., 1975, 63, 3929. [all data]

Kolos, 1976
Kolos, W., Ab initio potential energy curves and vibrational levels for the B", B«macron», and B'¹Σ_u+ states of the hydrogen molecule, J. Mol. Spectrosc., 1976, 62, 429. [all data]

Monfils, 1965
Monfils, A., The absorption spectra of the molecules H₂, HD, and D₂. Part VI. Rotational analysis of the B', B", D, D', and D" states, J. Mol. Spectrosc., 1965, 15, 265. [all data]

Monfils, 1968
Monfils, A., Absorption spectra of molecules H₂, HD, and D₂. VII. Vibrational constants of the B, B', B", C, D, D', and D" states, J. Mol. Spectrosc., 1968, 25, 513. [all data]

Dieke and Lewis, 1937
Dieke, G.H.; Lewis, M.N., Bands of HD and D₂ ending on the 2p¹Σ state, Phys. Rev., 1937, 52, 100. [all data]

Dieke and Cunningham, 1965
Dieke, G.H.; Cunningham, S.P., Bands of D₂ and T₂ originating from the lowest excited ¹Σ_g states (1sσ)(2sσ)¹Σ_g and (2pσ)²¹Σ_g, J. Mol. Spectrosc., 1965, 18, 288. [all data]

Brannon, Church, et al., 1968
Brannon, P.J.; Church, C.H.; Peters, C.W., Electric field induced spectra of molecular hydrogen, deuterium and deuterium hydride, J. Mol. Spectrosc., 1968, 27, 44. [all data]

Watanabe and Welsh, 1965
Watanabe, A.; Welsh, H.L., Pressure-induced infrared absorption of gaseous hydrogen and deuterium at low temperatures, Can. J. Phys., 1965, 43, 818. [all data]

Reddy and Kuo, 1971
Reddy, S.P.; Kuo, C.Z., Collision-induced 1st overtone infrared absorption band of deuterium, J. Mol. Spectrosc., 1971, 37, 327. [all data]

Russell, Reddy, et al., 1974
Russell, W.E.; Reddy, S.P.; Cho, C.W., Collision-induced fundamental band of D₂ in D₂-He and D₂-Ne mixtures at different temperatures, J. Mol. Spectrosc., 1974, 52, 72. [all data]

Stoicheff, 1957
Stoicheff, B.P., High resolution Raman spectroscopy of gases. IX. Spectra of H₂, HD, and D₂, Can. J. Phys., 1957, 35, 730. [all data]

Kolsky, Phipps, et al., 1952
Kolsky, H.G.; Phipps, T.E., Jr.; Ramsey, N.F.; Silsbee, H.B., Nuclear radiofrequency spectra of H₂ and D₂ in high and low magnetic fields, Phys. Rev., 1952, 87, 395. [all data]

Ramsey, 1956
Ramsey, Molecular Beams, Clarendon Press, Oxford, 1956, 238. [all data]

English and MacAdam, 1970
English, T.C.; MacAdam, K.B., Molecular-beam resonance measurement of deuterium polarizability anisotropy, Phys. Rev. Lett., 1970, 24, 555-557. [all data]

Code and Ramsey, 1971
Code, R.F.; Ramsey, N.F., Molecular-beam magnetic resonance studies of HD and D₂, Phys. Rev. A: Gen. Phys., 1971, 4, 1945. [all data]

Miller, Freund, et al., 1976
Miller, T.A.; Freund, R.S.; Zegarski, B.R., A forbidden singlet-triplet anticrossing in D₂, J. Chem. Phys., 1976, 64, 1842. [all data]

Jost, Lombardi, et al., 1976
Jost, R.; Lombardi, M.; Derouard, J.; Freund, R.S.; Miller, T.A.; Zegarski, B.R., Singlet-triplet anticrossings and the electronic isotope shift in D₂, Chem. Phys. Lett., 1976, 37, 507. [all data]

Freund and Miller, 1973
Freund, R.S.; Miller, T.A., Fine structure of ortho- and para-D₂ d(3p) ³Π_u via microwave optical magnetic resonance induced by electrons, J. Chem. Phys., 1973, 59, 4073. [all data]

Freund and Miller, 1973, 2
Freund, R.S.; Miller, T.A., Fine structure of para-H₂ d(3p) ³Π_u (ν=0-3) via microwave optical magnetic resonance induced by electrons, J. Chem. Phys., 1973, 58, 3565. [all data]

Smith and Chevalier, 1972
Smith, W.H.; Chevalier, R., Radiative-lifetime studies of the emission continua of the hydrogen and deuterium molecules, Astrophys. J., 1972, 177, 835. [all data]

Johnson, 1972
Johnson, C.E., Lifetime of the c³Π_u metastable state of H₂, D₂, and HD, Phys. Rev. A: Gen. Phys., 1972, 5, 1026. [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]

Berkowitz and Spohr, 1973
Berkowitz, J.; Spohr, R., Comparison of photoelectron intensities and Franck-Condon factors in the photoionization of H₂, HD and D₂, J. Electron Spectrosc. Relat. Phenom., 1973, 2, 143. [all data]

Dunn, 1966
Dunn, G.H., Franck-Condon factors for the ionization of H₂ and D₂, J. Chem. Phys., 1966, 44, 2592. [all data]

Villarejo, 1968, 2
Villarejo, D., Vibration-rotation interaction effects in calculated Franck-Condon factors. I. The ionization of H₂ and D₂, J. Chem. Phys., 1968, 49, 2523. [all data]

Itikawa, 1973
Itikawa, Y., Calculation of the cross sections for the photoionization of H₂ and D₂ into different vibrational states of the ion, J. Electron Spectrosc. Relat. Phenom., 1973, 2, 125. [all data]

Ford, Docken, et al., 1975
Ford, A.L.; Docken, K.K.; Dalgarno, A., Cross sections for photoionization of vibrationally excited molecular hydrogen, Astrophys. J., 1975, 200, 788. [all data]

Monfils, 1968, 2
Monfils, A., Calcul des fonctions potentielles de divers etats signulets excites des molecules H₂, HD et D₂, Bull. Cl. Sci. Acad. R. Belg., 1968, 54, 44. [all data]

Comes and Schumpe, 1971
Comes, F.J.; Schumpe, G., Einfluss der Rotation auf die Lebensdauer pradissoziierender Molekule, Z. Naturforsch. A, 1971, 26, 538. [all data]

Comes and Wenning, 1970
Comes, F.J.; Wenning, U., Pradissoziation im elektrischen Feld - ein neues Phanomen in der Molekulspektroskopie, Z. Naturforsch. A, 1970, 25, 406. [all data]

Fiquet-Fayard and Gallais, 1972
Fiquet-Fayard, F.; Gallais, O., Predissociation of H₂ and D₂ (D¹Π_u): comparison of calculated and experimental line-widths, Chem. Phys. Lett., 1972, 16, 18. [all data]

Dieke, 1954
Dieke, G.H., Nouveaux resultats pour le spectre des molecules de l'hydrogene et de ses isotopes, J. Phys. Radium, 1954, 15, 393. [all data]

Kolos and Wolniewicz, 1969
Kolos, W.; Wolniewicz, L., Theoretical investigation of the lowest double-minimum state E, F¹Σ_g⁺ of the hydrogen molecule, J. Chem. Phys., 1969, 50, 3228. [all data]

Kolos and Wolniewicz, 1965
Kolos, W.; Wolniewicz, L., Potential-energy curves for the X¹Σ_g⁺, b³Σ_u⁺, and C¹Π_u states of the hydrogen molecule, J. Chem. Phys., 1965, 43, 2429. [all data]

Geiger and Schmoranzer, 1969
Geiger, J.; Schmoranzer, H., Electronic and vibrational transition probabilities of isotopic hydrogen molecules H₂, HD, and D₂ based on electron energy loss spectra, J. Mol. Spectrosc., 1969, 32, 39. [all data]

Allison and Dalgarno, 1969
Allison, A.C.; Dalgarno, A., Photodissociation of vibrationally excited H₂, HD, and D₂ by absorption into the continua of the Lyman and Werner systems, At. Data, 1969, 1, 91. [all data]

Takezawa, Innes, et al., 1967
Takezawa, S.; Innes, F.R.; Tanaka, Y., Selective enhancement in hydrogenlike molecules with the rare gases. II. HD and D₂ with Ar and Kr, J. Chem. Phys., 1967, 46, 4555. [all data]

Halmann and Laulicht, 1966
Halmann, M.; Laulicht, I., Isotope effects on Franck-Condon factors. V. Electronic transitions of isotopic O₂, N₂, C₂, and H₂ molecules, J. Chem. Phys., 1966, 44, 2398. [all data]

Dalgarno, Herzberg, et al., 1970
Dalgarno, A.; Herzberg, G.; Stephens, T.L., A new continuous emission spectrum of the hydrogen molecule, Astrophys. J., 1970, 162, 49. [all data]

Bredohl and Herzberg, 1973
Bredohl, H.; Herzberg, G., The Lyman and Werner bands of deuterium, Can. J. Phys., 1973, 51, 867. [all data]

LeRoy, 1971
LeRoy, R.J., Eigenvalues and certain expectation values for all bound and quasibound levels of ground-state (X¹Σ_g⁺)H₂, HD, and D₂, J. Chem. Phys., 1971, 54, 5433. [all data]

Kolos and Wolniewicz, 1975
Kolos, W.; Wolniewicz, L., Improved potential energy curve and vibrational energies for the electronic ground state of the hydrogen molecule, J. Mol. Spectrosc., 1975, 54, 303. [all data]

Bunker, 1972
Bunker, P.R., On the breakdown of the Born-Oppenheimer approximation for a diatomic molecule, J. Mol. Spectrosc., 1972, 5, 478. [all data]

Dabrowski and Herzberg, 1976
Dabrowski, I.; Herzberg, G., The absorption and emission spectra of HD in the vacuum ultraviolet, Can. J. Phys., 1976, 54, 525. [all data]

Ramsey, 1952
Ramsey, N.F., Theory of molecular hydrogen and deuterium in magnetic fields, Phys. Rev., 1952, 85, 60. [all data]

Herzberg, 1970
Herzberg, G., The dissociation energy of the hydrogen molecule, J.Mol. Spectry., 1970, 33, 147. [all data]

LeRoy and Barwell, 1975
LeRoy, R.J.; Barwell, M.G., Ground state D₂ dissociation energy from the near-dissociation behavior of rotational level spacings, Can. J. Phys., 1975, 53, 1983. [all data]

Herzberg, 1972
Herzberg, G., Spectroscopic studies of molecular structure, Science, 1972, 177, 123. [all data]

Notes

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Constants of diatomic molecules, References

• Symbols used in this document:
  

  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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