Deuterium cation
- Formula: D+
- Molecular weight: 2.0135531979
- IUPAC Standard InChIKey: GPRLSGONYQIRFK-DYCDLGHISA-N
- CAS Registry Number: 14464-47-2
- Chemical structure:
This structure is also available as a 2d Mol file - Isotopologues:
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Gas phase thermochemistry data
Go To: Top, Reaction thermochemistry 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 |
---|---|---|---|---|---|
S°gas,1 bar | 28.102 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in March, 1982 |
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 by: John E. Bartmess
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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 402.30 | kcal/mol | N/A | Shiell, Hu, et al., 2000 | gas phase; exact: 402.258±0.003 kcal/mol at 298K. Acid: D2 |
ΔrH° | 401.210 ± 0.010 | kcal/mol | D-EA | Lykke, Murray, et al., 1991 | gas phase; Reported: 6086.2±0.6 cm-1. Acid taken as HD -> H+ + D- |
ΔrH° | 402.30 | kcal/mol | D-EA | Lykke, Murray, et al., 1991 | gas phase; Acid: D2 -> D- + D+. BDE: 105.98 Gurvich, Veyts, et al.. ΔSacid 22.9 |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 394.95 ± 0.11 | kcal/mol | H-TS | Lykke, Murray, et al., 1991 | gas phase; Reported: 6086.2±0.6 cm-1. Acid taken as HD -> H+ + D- |
ΔrG° | 395.50 ± 0.10 | kcal/mol | H-TS | Lykke, Murray, et al., 1991 | gas phase; Acid: D2 -> D- + D+. BDE: 105.98 Gurvich, Veyts, et al.. ΔSacid 22.9 |
DO- + =
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 391.160 ± 0.060 | kcal/mol | D-EA | Schulz, Mead, et al., 1982 | gas phase; Given: 1.822549(37) eV. Derived acidity is for DOH -> DO- + H+ |
ΔrH° | 392.60 ± 0.10 | kcal/mol | D-EA | Schulz, Mead, et al., 1982 | gas phase; For D2O -> DO- + D+. BDE: 120.96±0.05 Qian, Song, et al., 2002 ΔSacid: 23.2 |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 384.84 ± 0.16 | kcal/mol | H-TS | Schulz, Mead, et al., 1982 | gas phase; Given: 1.822549(37) eV. Derived acidity is for DOH -> DO- + H+ |
ΔrG° | 385.60 ± 0.10 | kcal/mol | H-TS | Schulz, Mead, et al., 1982 | gas phase; For D2O -> DO- + D+. BDE: 120.96±0.05 Qian, Song, et al., 2002 ΔSacid: 23.2 |
C2D5O- + =
By formula: C2D5O- + D+ = C2D6O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 378.52 ± 0.22 | kcal/mol | D-EA | Ramond, Davico, et al., 2000 | gas phase |
ΔrH° | 378.5 ± 2.1 | kcal/mol | G+TS | Dang, Motell, et al., 1993 | gas phase |
ΔrH° | 378.6 ± 2.0 | kcal/mol | CIDC | Haas and Harrison, 1993 | gas phase; Both metastable and 50 eV collision energy. |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 371.34 ± 0.64 | kcal/mol | H-TS | Ramond, Davico, et al., 2000 | gas phase |
ΔrG° | 371.3 ± 2.0 | kcal/mol | IMRE | Dang, Motell, et al., 1993 | gas phase |
ΔrG° | 371.4 ± 2.1 | kcal/mol | H-TS | Haas and Harrison, 1993 | gas phase; Both metastable and 50 eV collision energy. |
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 375.66 ± 0.83 | kcal/mol | D-EA | Oakes, Harding, et al., 1985 | gas phase; Acid: DOOH -> DOO- + H+ |
ΔrH° | 377.6 ± 1.2 | kcal/mol | D-EA | Oakes, Harding, et al., 1985 | gas phase; For DOOD -> DOO- + D+. BDE: 89.0 Gurvich, Veyts, et al.; ΔSacid: 24.7 |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 369.04 ± 0.93 | kcal/mol | H-TS | Oakes, Harding, et al., 1985 | gas phase; Acid: DOOH -> DOO- + H+ |
ΔrG° | 370.2 ± 1.3 | kcal/mol | H-TS | Oakes, Harding, et al., 1985 | gas phase; For DOOD -> DOO- + D+. BDE: 89.0 Gurvich, Veyts, et al.; ΔSacid: 24.7 |
CD3O- + =
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 381.8 ± 2.0 | kcal/mol | CIDC | Haas and Harrison, 1993 | gas phase; Both metastable and 50 eV collision energy. |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 375.2 ± 2.1 | kcal/mol | H-TS | Haas and Harrison, 1993 | gas phase; Both metastable and 50 eV collision energy. |
C7D7- + =
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 386.44 ± 0.67 | kcal/mol | G+TS | Ellison, Davico, et al., 1996 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 377.20 ± 0.30 | kcal/mol | IMRE | Ellison, Davico, et al., 1996 | gas phase |
By formula: CD3O2- + D+ = CHD3O2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 367.90 ± 0.90 | kcal/mol | IMRE | Blanksby, Ramond, et al., 2001 | gas phase |
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]
Schulz, Mead, et al., 1982
Schulz, P.A.; Mead, R.D.; Jones, P.L.; Lineberger, W.C.,
OH- and OD- threshold photodetachment,
J. Chem. Phys., 1982, 77, 1153. [all data]
Qian, Song, et al., 2002
Qian, X.M.; Song, Y.; Lau, K.C.; Ng, C.Y.; Liu, J.B.; Chen, W.W.; He, G.Z.,
A pulsed field ionization photoelectron-photoion coincidence study of the dissociative photoionization process D2O+h nu - OD++D+e(-),
Chem. Phys. Lett., 2002, 353, 1-2, 19-26, https://doi.org/10.1016/S0009-2614(01)01442-7
. [all data]
Ramond, Davico, et al., 2000
Ramond, T.M.; Davico, G.E.; Schwartz, R.L.; Lineberger, W.C.,
Vibronic structure of alkoxy radicals via photoelectron spectroscopy,
J. Chem. Phys., 2000, 112, 3, 1158-1169, https://doi.org/10.1063/1.480767
. [all data]
Dang, Motell, et al., 1993
Dang, T.T.; Motell, E.L.; Travers, M.J.; Clifford, E.P.; Ellison, G.B.; Depuy, C.H.; Bierbaum, V.M.,
Experimental and Computational Studies of Deuterated Ethanols - Gas-Phase Acidities, Electron Affinities and Bond Dissociation Energies,
Int. J. Mass Spectrom. Ion Proc., 1993, 123, 3, 171, https://doi.org/10.1016/0168-1176(93)87096-B
. [all data]
Haas and Harrison, 1993
Haas, M.J.; Harrison, A.G.,
The Fragmentation of Proton-Bound Cluster Ions and the Gas-Phase Acidities of Alcohols,
Int. J. Mass Spectrom. Ion Proc., 1993, 124, 2, 115, https://doi.org/10.1016/0168-1176(93)80003-W
. [all data]
Oakes, Harding, et al., 1985
Oakes, J.M.; Harding, L.B.; Ellison, G.B.,
The photoelectron spectroscopy of HO2-,
J. Chem. Phys., 1985, 83, 5400. [all data]
Ellison, Davico, et al., 1996
Ellison, G.B.; Davico, G.E.; Bierbaum, V.M.; DePuy, C.H.,
Thermochemistry of theb Benzyl and Allyl Radicals and Ions,
Int. J. Mass Spectrom. Ion Proc., 1996, 156, 1-2, 109-131, https://doi.org/10.1016/S0168-1176(96)04383-2
. [all data]
Blanksby, Ramond, et al., 2001
Blanksby, S.J.; Ramond, T.M.; Davico, G.E.; Nimlos, M.R.; Kato, S.; Bierbaum, V.M.; Lineberger, W.C.; Ellison,
Negative-ion photoelectron spectroscopy, gas-phase acidity, and thermochemistry of the peroxyl radicals CH3OO and CH3CH2OO,
J. Am. Chem. Soc., 2001, 123, 39, 9585-9596, https://doi.org/10.1021/ja010942j
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, References
- Symbols used in this document:
S°gas,1 bar Entropy of gas at standard conditions (1 bar) ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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