Deuterium

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Gas phase thermochemistry data

Go To: Top, Reaction thermochemistry data, References, Notes

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 bar34.646cal/mol*KReviewChase, 1998Data last reviewed in March, 1982

Gas Phase Heat Capacity (Shomate Equation)

Cp° = 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
    Cp = heat capacity (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/mol*K)
    t = temperature (K) / 1000.

View plot Requires a JavaScript / HTML 5 canvas capable browser.

View table.

Temperature (K) 298. to 1000.1000. to 2500.2500. to 6000.
A 7.8117914.80951611.182420
B -3.5471563.590786-1.326966
C 5.034622-1.1417230.346815
D -1.7219490.141779-0.025358
E -0.0159030.160352-4.665747
F -2.265914-1.063541-9.678914
G 44.85923740.27626142.563937
H 0.00.00.0
ReferenceChase, 1998Chase, 1998Chase, 1998
Comment Data last reviewed in March, 1977; New parameter fit October 2001 Data last reviewed in March, 1977; New parameter fit October 2001 Data last reviewed in March, 1977; New parameter fit October 2001

Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry 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 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

Deuterium anion + Deuterium cation = Deuterium

By formula: D- + D+ = D2

Quantity Value Units Method Reference Comment
Δr402.30kcal/molN/AShiell, Hu, et al., 2000gas phase; exact: 402.258±0.003 kcal/mol at 298K. Acid: D2; B
Δr401.210 ± 0.010kcal/molD-EALykke, Murray, et al., 1991gas phase; Reported: 6086.2±0.6 cm-1. Acid taken as HD -> H+ + D-; B
Δr402.30kcal/molD-EALykke, Murray, et al., 1991gas phase; Acid: D2 -> D- + D+. BDE: 105.98 Gurvich, Veyts, et al.. ΔSacid 22.9; B
Quantity Value Units Method Reference Comment
Δr394.95 ± 0.11kcal/molH-TSLykke, Murray, et al., 1991gas phase; Reported: 6086.2±0.6 cm-1. Acid taken as HD -> H+ + D-; B
Δr395.50 ± 0.10kcal/molH-TSLykke, Murray, et al., 1991gas phase; Acid: D2 -> D- + D+. BDE: 105.98 Gurvich, Veyts, et al.. ΔSacid 22.9; B

(D3+ • 9Deuterium) + Deuterium = (D3+ • 10Deuterium)

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

Quantity Value Units Method Reference Comment
Δr0.6kcal/molPHPMSHiraoka and Mori, 1989gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr20.cal/mol*KN/AHiraoka and Mori, 1989gas phase; Entropy change calculated or estimated; M

(D3+ • 2Deuterium) + Deuterium = (D3+ • 3Deuterium)

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

Quantity Value Units Method Reference Comment
Δr3.4 ± 0.2kcal/molPHPMSHiraoka and Mori, 1989gas phase; M
Quantity Value Units Method Reference Comment
Δr20.0cal/mol*KPHPMSHiraoka and Mori, 1989gas phase; M

(D3+ • 3Deuterium) + Deuterium = (D3+ • 4Deuterium)

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

Quantity Value Units Method Reference Comment
Δr1.8 ± 0.1kcal/molPHPMSHiraoka and Mori, 1989gas phase; M
Quantity Value Units Method Reference Comment
Δr18.2cal/mol*KPHPMSHiraoka and Mori, 1989gas phase; M

(D3+ • 4Deuterium) + Deuterium = (D3+ • 5Deuterium)

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

Quantity Value Units Method Reference Comment
Δr1.8 ± 0.1kcal/molPHPMSHiraoka and Mori, 1989gas phase; M
Quantity Value Units Method Reference Comment
Δr19.1cal/mol*KPHPMSHiraoka and Mori, 1989gas phase; M

(D3+ • 5Deuterium) + Deuterium = (D3+ • 6Deuterium)

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

Quantity Value Units Method Reference Comment
Δr1.7 ± 0.1kcal/molPHPMSHiraoka and Mori, 1989gas phase; M
Quantity Value Units Method Reference Comment
Δr21.8cal/mol*KPHPMSHiraoka and Mori, 1989gas phase; M

(D3+ • 6Deuterium) + Deuterium = (D3+ • 7Deuterium)

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

Quantity Value Units Method Reference Comment
Δr0.9 ± 0.1kcal/molPHPMSHiraoka and Mori, 1989gas phase; M
Quantity Value Units Method Reference Comment
Δr12.8cal/mol*KPHPMSHiraoka and Mori, 1989gas phase; M

(D3+ • 7Deuterium) + Deuterium = (D3+ • 8Deuterium)

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

Quantity Value Units Method Reference Comment
Δr0.8 ± 0.1kcal/molPHPMSHiraoka and Mori, 1989gas phase; M
Quantity Value Units Method Reference Comment
Δr15.3cal/mol*KPHPMSHiraoka and Mori, 1989gas phase; M

(D3+ • 8Deuterium) + Deuterium = (D3+ • 9Deuterium)

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

Quantity Value Units Method Reference Comment
Δr0.7 ± 0.1kcal/molPHPMSHiraoka and Mori, 1989gas phase; M
Quantity Value Units Method Reference Comment
Δr19.4cal/mol*KPHPMSHiraoka and Mori, 1989gas phase; M

(D3+ • Deuterium) + Deuterium = (D3+ • 2Deuterium)

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

Quantity Value Units Method Reference Comment
Δr3.5 ± 0.2kcal/molPHPMSHiraoka and Mori, 1989gas phase; M
Quantity Value Units Method Reference Comment
Δr17.9cal/mol*KPHPMSHiraoka and Mori, 1989gas phase; M

D3+ + Deuterium = (D3+ • Deuterium)

By formula: D3+ + D2 = (D3+ • D2)

Quantity Value Units Method Reference Comment
Δr7.1 ± 0.3kcal/molPHPMSHiraoka and Mori, 1989gas phase; M
Quantity Value Units Method Reference Comment
Δr18.8cal/mol*KPHPMSHiraoka and Mori, 1989gas phase; M

Cobalt ion (1+) + Deuterium = (Cobalt ion (1+) • Deuterium)

By formula: Co+ + D2 = (Co+ • D2)

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
17.1 (+1.6,-0.) CIDHaynes and Armentrout, 1996gas phase; guided ion beam CID; M

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]

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]


Notes

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