Deuterium

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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.

Quantity Value Units Method Reference Comment
gas,1 bar144.96J/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 (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 298. - 1000.1000. - 2500.2500. - 6000.
A 32.68453420.12301546.787245
B -14.84130115.023850-5.552026
C 21.064857-4.7769671.451072
D -7.2046330.593203-0.106099
E -0.0665340.670912-19.521487
F -9.480583-4.449853-40.496576
G 187.691048168.515874178.087513
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
Δr1683.2kJ/molN/AShiell, Hu, et al., 2000gas phase; exact: 402.258±0.003 kcal/mol at 298K. Acid: D2; B
Δr1678.663 ± 0.042kJ/molD-EALykke, Murray, et al., 1991gas phase; Reported: 6086.2±0.6 cm-1. Acid taken as HD -> H+ + D-; B
Δr1683.2kJ/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
Δr1652.5 ± 0.46kJ/molH-TSLykke, Murray, et al., 1991gas phase; Reported: 6086.2±0.6 cm-1. Acid taken as HD -> H+ + D-; B
Δr1654.8 ± 0.42kJ/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
Δr3.kJ/molPHPMSHiraoka and Mori, 1989gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr84.J/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
Δr14.0 ± 0.8kJ/molPHPMSHiraoka and Mori, 1989gas phase; M
Quantity Value Units Method Reference Comment
Δr83.7J/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
Δr7.7 ± 0.4kJ/molPHPMSHiraoka and Mori, 1989gas phase; M
Quantity Value Units Method Reference Comment
Δr76.1J/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
Δr7.6 ± 0.4kJ/molPHPMSHiraoka and Mori, 1989gas phase; M
Quantity Value Units Method Reference Comment
Δr79.9J/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
Δr7.3 ± 0.4kJ/molPHPMSHiraoka and Mori, 1989gas phase; M
Quantity Value Units Method Reference Comment
Δr91.2J/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
Δr3.8 ± 0.4kJ/molPHPMSHiraoka and Mori, 1989gas phase; M
Quantity Value Units Method Reference Comment
Δr53.6J/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
Δr3.4 ± 0.4kJ/molPHPMSHiraoka and Mori, 1989gas phase; M
Quantity Value Units Method Reference Comment
Δr64.0J/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
Δr3.0 ± 0.4kJ/molPHPMSHiraoka and Mori, 1989gas phase; M
Quantity Value Units Method Reference Comment
Δr81.2J/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
Δr14.6 ± 0.8kJ/molPHPMSHiraoka and Mori, 1989gas phase; M
Quantity Value Units Method Reference Comment
Δr74.9J/mol*KPHPMSHiraoka and Mori, 1989gas phase; M

D3+ + Deuterium = (D3+ • Deuterium)

By formula: D3+ + D2 = (D3+ • D2)

Quantity Value Units Method Reference Comment
Δr30. ± 1.kJ/molPHPMSHiraoka and Mori, 1989gas phase; M
Quantity Value Units Method Reference Comment
Δr78.7J/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° (kJ/mol) T (K) Method Reference Comment
71.5 (+6.7,-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