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 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

Gas phase ion energetics 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:
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

References

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics 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]

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

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