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:
  • Hydrogen cation
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• Information on this page:
  • Gas phase thermochemistry data
  • Reaction thermochemistry data
  • References
  • Notes
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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.

Reaction 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.

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

 +  =

By formula: D^- + D⁺ = D₂

Quantity	Value	Units	Method	Reference	Comment
rH°	402.30	kcal/mol	N/A	Shiell, Hu, et al., 2000	gas phase; exact: 402.258±0.003 kcal/mol at 298K. Acid: D2
rH°	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-
rH°	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
rG°	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-
rG°	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^- +  =

By formula: DO^- + D⁺ = D₂O

Quantity	Value	Units	Method	Reference	Comment
rH°	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+
rH°	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
rG°	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+
rG°	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
rH°	378.52 ± 0.22	kcal/mol	D-EA	Ramond, Davico, et al., 2000	gas phase
rH°	378.5 ± 2.1	kcal/mol	G+TS	Dang, Motell, et al., 1993	gas phase
rH°	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
rG°	371.34 ± 0.64	kcal/mol	H-TS	Ramond, Davico, et al., 2000	gas phase
rG°	371.3 ± 2.0	kcal/mol	IMRE	Dang, Motell, et al., 1993	gas phase
rG°	371.4 ± 2.1	kcal/mol	H-TS	Haas and Harrison, 1993	gas phase; Both metastable and 50 eV collision energy.

DO₂^- +  = D₂O₂

By formula: DO₂^- + D⁺ = D₂O₂

Quantity	Value	Units	Method	Reference	Comment
rH°	375.66 ± 0.83	kcal/mol	D-EA	Oakes, Harding, et al., 1985	gas phase; Acid: DOOH -> DOO- + H+
rH°	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
rG°	369.04 ± 0.93	kcal/mol	H-TS	Oakes, Harding, et al., 1985	gas phase; Acid: DOOH -> DOO- + H+
rG°	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^- +  =

By formula: CD₃O^- + D⁺ = CD₄O

Quantity	Value	Units	Method	Reference	Comment
rH°	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
rG°	375.2 ± 2.1	kcal/mol	H-TS	Haas and Harrison, 1993	gas phase; Both metastable and 50 eV collision energy.

C₇D₇^- +  =

By formula: C₇D₇^- + D⁺ = C₇D₈

Quantity	Value	Units	Method	Reference	Comment
rH°	386.44 ± 0.67	kcal/mol	G+TS	Ellison, Davico, et al., 1996	gas phase
Quantity	Value	Units	Method	Reference	Comment
rG°	377.20 ± 0.30	kcal/mol	IMRE	Ellison, Davico, et al., 1996	gas phase

CD₃O₂^- +  = CHD₃O₂

By formula: CD₃O₂^- + D⁺ = CHD₃O₂

Quantity	Value	Units	Method	Reference	Comment
rG°	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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