Deuterium

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Gas phase thermochemistry data

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

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.

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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

Phase change data

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering 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: Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director

Quantity Value Units Method Reference Comment
Ttriple18.73KN/AMcConville and Pavese, 1988Uncertainty assigned by TRC = 0.0005 K; for normal D2 Temp. on IPTS-678, reproducible to 0.0002 K
Ttriple18.69KN/AMcConville and Pavese, 1988Uncertainty assigned by TRC = 0.0005 K; for equilibrium D2 Temp. on IPTS-678, reproducible to 0.0002 K
Ttriple18.65KN/AClusius and Weigand, 1940Uncertainty assigned by TRC = 0.2 K; see property X for dP/dT for c-l equil.

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Reaction thermochemistry data

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

Gas phase ion energetics data

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

IE (eV) Method Reference Comment
15.46658EVALShiner, Gilligan, et al., 1993LL
15.4666 ± 0.0001EVALHuber and Herzberg, 1979LLK
15.4667 ± 0.0001STakezawa and Tanaka, 1975LLK
15.43 ± 0.01EILossing and Semeluk, 1969RDSH
15.468 ± 0.022TEVillarejo, 1968RDSH
15.47PESpohr and Puttkamer, 1967RDSH
15.46 ± 0.01PIDibeler, Reese, et al., 1965RDSH
15.5EIBriglia and Rapp, 1965RDSH

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
D+25.3 ± 0.2DEIOlmsted, Street, et al., 1964RDSH

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

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

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
Quantity Value Units Method Reference Comment
Δr18.8cal/mol*KPHPMSHiraoka and Mori, 1989gas phase

(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
Quantity Value Units Method Reference Comment
Δr17.9cal/mol*KPHPMSHiraoka and Mori, 1989gas phase

(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
Quantity Value Units Method Reference Comment
Δr20.0cal/mol*KPHPMSHiraoka and Mori, 1989gas phase

(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
Quantity Value Units Method Reference Comment
Δr18.2cal/mol*KPHPMSHiraoka and Mori, 1989gas phase

(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
Quantity Value Units Method Reference Comment
Δr19.1cal/mol*KPHPMSHiraoka and Mori, 1989gas phase

(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
Quantity Value Units Method Reference Comment
Δr21.8cal/mol*KPHPMSHiraoka and Mori, 1989gas phase

(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
Quantity Value Units Method Reference Comment
Δr12.8cal/mol*KPHPMSHiraoka and Mori, 1989gas phase

(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
Quantity Value Units Method Reference Comment
Δr15.3cal/mol*KPHPMSHiraoka and Mori, 1989gas phase

(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
Quantity Value Units Method Reference Comment
Δr19.4cal/mol*KPHPMSHiraoka and Mori, 1989gas phase

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

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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Mass spectrum
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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin D.HENNEBERG, MAX-PLANCK INSTITUTE, MULHEIM, WEST GERMANY
NIST MS number 61316

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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, noσ1Σu+←X1Σg+ and npπ1π←X1Σg+ 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