Deuterium cation
- Formula: D+
- Molecular weight: 2.0135531979
- IUPAC Standard InChI:
- InChI=1S/p+1/i/hD
- Download the identifier in a file.
- 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 |
---|---|---|---|---|---|
![]() | 402.30 | kcal/mol | N/A | Shiell, Hu, et al., 2000 | gas phase; exact: 402.258±0.003 kcal/mol at 298K. Acid: D2 |
![]() | 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- |
![]() | 402.30 | kcal/mol | D-EA | Lykke, Murray, et al., 1991 | gas phase; Acid: D2 -> D- + D+. BDE: 105.98 Gurvich, Veyts, et al.. «DELTA»Sacid 22.9 |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 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- |
![]() | 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.. «DELTA»Sacid 22.9 |
DO- + =
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 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+ |
![]() | 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 «DELTA»Sacid: 23.2 |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 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+ |
![]() | 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 «DELTA»Sacid: 23.2 |
C2D5O- + =
By formula: C2D5O- + D+ = C2D6O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 378.52 ± 0.22 | kcal/mol | D-EA | Ramond, Davico, et al., 2000 | gas phase |
![]() | 378.5 ± 2.1 | kcal/mol | G+TS | Dang, Motell, et al., 1993 | gas phase |
![]() | 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 |
![]() | 371.34 ± 0.64 | kcal/mol | H-TS | Ramond, Davico, et al., 2000 | gas phase |
![]() | 371.3 ± 2.0 | kcal/mol | IMRE | Dang, Motell, et al., 1993 | gas phase |
![]() | 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 |
---|---|---|---|---|---|
![]() | 375.66 ± 0.83 | kcal/mol | D-EA | Oakes, Harding, et al., 1985 | gas phase; Acid: DOOH -> DOO- + H+ |
![]() | 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.; «DELTA»Sacid: 24.7 |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 369.04 ± 0.93 | kcal/mol | H-TS | Oakes, Harding, et al., 1985 | gas phase; Acid: DOOH -> DOO- + H+ |
![]() | 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.; «DELTA»Sacid: 24.7 |
CD3O- + =
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 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 |
![]() | 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 |
---|---|---|---|---|---|
![]() | 386.44 ± 0.67 | kcal/mol | G+TS | Ellison, Davico, et al., 1996 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 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 |
---|---|---|---|---|---|
![]() | 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) rG°
Free energy of reaction at standard conditions rH°
Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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