deuterium hydride
- Formula: DH
- Molecular weight: 3.02204
- IUPAC Standard InChI: InChI=1S/H2/h1H/i1+1
- IUPAC Standard InChIKey: UFHFLCQGNIYNRP-OUBTZVSYSA-N
- CAS Registry Number: 13983-20-5
- Chemical structure:
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Gas phase thermochemistry data
Go To: Top, Phase change data, Gas phase ion energetics 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 |
|---|---|---|---|---|---|
| ΔfH°gas | 0.076 | kcal/mol | Review | Chase, 1998 | Data last reviewed in June, 1977 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 34.369 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1977 |
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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| Temperature (K) | 298. to 1000. | 1000. to 6000. |
|---|---|---|
| A | 7.468911 | 6.745450 |
| B | -1.813860 | 1.093540 |
| C | 2.153771 | -0.131852 |
| D | -0.457556 | 0.007418 |
| E | -0.011423 | -0.414024 |
| F | -2.126271 | -2.615761 |
| G | 43.79281 | 41.66941 |
| H | 0.076482 | 0.076482 |
| Reference | Chase, 1998 | Chase, 1998 |
| Comment | Data last reviewed in June, 1977 | Data last reviewed in June, 1977 |
Phase change data
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics 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: Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Ttriple | 16.6 | K | N/A | Clusius and Weigand, 1940 | Uncertainty assigned by TRC = 0.2 K; see property X for dP/dT for c-l equil. |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Phase change 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 HD+ (ion structure unspecified)
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 15.44465 | EVAL | Shiner, Gilligan, et al., 1993 | LL |
| 15.44466 | EVAL | Huber and Herzberg, 1979 | LLK |
| 15.44477 ± 0.00007 | S | Takezawa and Tanaka, 1972 | LLK |
| 15.46 | PI | Dibeler, Reese, et al., 1965 | RDSH |
References
Go To: Top, Gas phase thermochemistry data, Phase change 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]
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]
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, 1972
Takezawa, S.; Tanaka, Y.,
Absorption spectrum of HD in the vacuum-uv region. Rydberg states and ionization energy,
J. Chem. Phys., 1972, 56, 6125. [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]
Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
S°gas,1 bar Entropy of gas at standard conditions (1 bar) Ttriple Triple point temperature ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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