Deuterium
- Formula: D
- Molecular weight: 2.0141017778
- IUPAC Standard InChI: InChI=1S/H/i1+1
- IUPAC Standard InChIKey: YZCKVEUIGOORGS-OUBTZVSYSA-N
- CAS Registry Number: 16873-17-9
- Chemical structure:
This structure is also available as a 2d Mol file - Isotopologues:
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Gas phase thermochemistry data
Go To: Top, 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 | 52.992 | kcal/mol | Review | Chase, 1998 | Data last reviewed in March, 1982 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 29.481 | cal/mol*K | Review | Chase, 1998 | Data 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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| Temperature (K) | 298. to 6000. |
|---|---|
| A | 4.967981 |
| B | 1.159331×10-10 |
| C | -3.783261×10-11 |
| D | 3.645079×10-12 |
| E | 7.639451×10-12 |
| F | 51.51121 |
| G | 35.49340 |
| H | 52.99240 |
| Reference | Chase, 1998 |
| Comment | Data last reviewed in March, 1982 |
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:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess
View reactions leading to D+ (ion structure unspecified)
Electron affinity determinations
| EA (eV) | Method | Reference | Comment |
|---|---|---|---|
| 0.754579 ± 0.000087 | LPES | Lykke, Murray, et al., 1991 | Reported: 6086.2±0.6 cm-1. Acid taken as HD -> H+ + D-; B |
| 0.754579 ± 0.000044 | LPES | Lykke, Murray, et al., 1991 | Acid: D2 -> D- + D+. BDE: 105.98 Gurvich, Veyts, et al.. ΔSacid 22.9; B |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 13.603 | S | Kelly, 1987 | LBLHLM |
| 13.602 | S | Garcia and Mack, 1965 | RDSH |
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]
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]
Kelly, 1987
Kelly, R.L.,
Atomic and ionic spectrum lines of hydrogen through kryton,
J. Phys. Chem. Ref. Data, 1987, 16. [all data]
Garcia and Mack, 1965
Garcia, J.D.; Mack, J.E.,
Energy level and line tables for one-electron atomic spectra,
J. Opt. Soc. Am., 1965, 55, 654. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
EA Electron affinity S°gas,1 bar Entropy of gas at standard conditions (1 bar) ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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