Deuterium
- Formula: D2
- Molecular weight: 4.0282035556
- IUPAC Standard InChIKey: UFHFLCQGNIYNRP-VVKOMZTBSA-N
- CAS Registry Number: 7782-39-0
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Isotopologues:
- Other names: D2; UN 1957
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Gas phase ion energetics data
Go To: Top, Ion clustering data, Mass spectrum (electron ionization), 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 D2+ (ion structure unspecified)
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
15.46658 | EVAL | Shiner, Gilligan, et al., 1993 | LL |
15.4666 ± 0.0001 | EVAL | Huber and Herzberg, 1979 | LLK |
15.4667 ± 0.0001 | S | Takezawa and Tanaka, 1975 | LLK |
15.43 ± 0.01 | EI | Lossing and Semeluk, 1969 | RDSH |
15.468 ± 0.022 | TE | Villarejo, 1968 | RDSH |
15.47 | PE | Spohr and Puttkamer, 1967 | RDSH |
15.46 ± 0.01 | PI | Dibeler, Reese, et al., 1965 | RDSH |
15.5 | EI | Briglia and Rapp, 1965 | RDSH |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
D+ | 25.3 ± 0.2 | D | EI | Olmsted, Street, et al., 1964 | RDSH |
Ion clustering data
Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), 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: Michael M. Meot-Ner (Mautner) and Sharon G. Lias
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.
Clustering reactions
By formula: Co+ + D2 = (Co+ • D2)
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
17.1 (+1.6,-0.) | CID | Haynes and Armentrout, 1996 | gas phase; guided ion beam CID |
By formula: D3+ + D2 = (D3+ • D2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.1 ± 0.3 | kcal/mol | PHPMS | Hiraoka and Mori, 1989 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.8 | cal/mol*K | PHPMS | Hiraoka and Mori, 1989 | gas phase |
By formula: (D3+ • D2) + D2 = (D3+ • 2D2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 3.5 ± 0.2 | kcal/mol | PHPMS | Hiraoka and Mori, 1989 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 17.9 | cal/mol*K | PHPMS | Hiraoka and Mori, 1989 | gas phase |
By formula: (D3+ • 2D2) + D2 = (D3+ • 3D2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 3.4 ± 0.2 | kcal/mol | PHPMS | Hiraoka and Mori, 1989 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.0 | cal/mol*K | PHPMS | Hiraoka and Mori, 1989 | gas phase |
By formula: (D3+ • 3D2) + D2 = (D3+ • 4D2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1.8 ± 0.1 | kcal/mol | PHPMS | Hiraoka and Mori, 1989 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.2 | cal/mol*K | PHPMS | Hiraoka and Mori, 1989 | gas phase |
By formula: (D3+ • 4D2) + D2 = (D3+ • 5D2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1.8 ± 0.1 | kcal/mol | PHPMS | Hiraoka and Mori, 1989 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.1 | cal/mol*K | PHPMS | Hiraoka and Mori, 1989 | gas phase |
By formula: (D3+ • 5D2) + D2 = (D3+ • 6D2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1.7 ± 0.1 | kcal/mol | PHPMS | Hiraoka and Mori, 1989 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.8 | cal/mol*K | PHPMS | Hiraoka and Mori, 1989 | gas phase |
By formula: (D3+ • 6D2) + D2 = (D3+ • 7D2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 0.9 ± 0.1 | kcal/mol | PHPMS | Hiraoka and Mori, 1989 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 12.8 | cal/mol*K | PHPMS | Hiraoka and Mori, 1989 | gas phase |
By formula: (D3+ • 7D2) + D2 = (D3+ • 8D2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 0.8 ± 0.1 | kcal/mol | PHPMS | Hiraoka and Mori, 1989 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 15.3 | cal/mol*K | PHPMS | Hiraoka and Mori, 1989 | gas phase |
By formula: (D3+ • 8D2) + D2 = (D3+ • 9D2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 0.7 ± 0.1 | kcal/mol | PHPMS | Hiraoka and Mori, 1989 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.4 | cal/mol*K | PHPMS | Hiraoka and Mori, 1989 | gas phase |
By formula: (D3+ • 9D2) + D2 = (D3+ • 10D2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 0.6 | kcal/mol | PHPMS | Hiraoka and Mori, 1989 | gas phase; Entropy change calculated or estimated |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20. | cal/mol*K | N/A | Hiraoka and Mori, 1989 | gas phase; Entropy change calculated or estimated |
Mass spectrum (electron ionization)
Go To: Top, Gas phase ion energetics data, Ion clustering 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | D.HENNEBERG, MAX-PLANCK INSTITUTE, MULHEIM, WEST GERMANY |
NIST MS number | 61316 |
References
Go To: Top, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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, 1975
Takezawa, S.; Tanaka, Y.,
The absorption spectrum of D2 in the vacuum-uv region, Rydberg bands, noσ1Σu+←X1Σg+ and npπ1π←X1Σg+ with n=4-6, and the ionization energy,
J. Mol. Spectrosc., 1975, 54, 379. [all data]
Lossing and Semeluk, 1969
Lossing, F.P.; Semeluk, G.P.,
Threshold ionization efficiency curves for monoenergetic electron impact on H2, D2, CH4 and CD4,
Intern. J. Mass Spectrom. Ion Phys., 1969, 2, 408. [all data]
Villarejo, 1968
Villarejo, D.,
Measurement of threshold electrons in the photoionization of H2 and D2,
J. Chem. Phys., 1968, 48, 4014. [all data]
Spohr and Puttkamer, 1967
Spohr, R.; Puttkamer, E.v.,
Energiemessung von Photoelektronen und Franck-Condon-Faktoren der Schwingungsubergange einiger Molekulionen,
Z. Naturforsch., 1967, 22a, 705. [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]
Briglia and Rapp, 1965
Briglia, D.D.; Rapp, D.,
Ionization of the hydrogen molecule by electron impact near threshold,
Phys. Rev. Letters, 1965, 14, 245. [all data]
Olmsted, Street, et al., 1964
Olmsted, J., III; Street, K., Jr.; Newton, A.S.,
Excess-kinetic-energy ions in organic mass spectra,
J. Chem. Phys., 1964, 40, 2114. [all data]
Haynes and Armentrout, 1996
Haynes, C.L.; Armentrout, P.B.,
Guided Ion Beam Determination of the Co+ - H2 Bond Dissociation energy,
Chem Phys. Let., 1996, 249, 1-2, 64, https://doi.org/10.1016/0009-2614(95)01337-7
. [all data]
Hiraoka and Mori, 1989
Hiraoka, K.; Mori, T.,
Thermochemical Stabilities of D3+(D2)n with n = 1 - 10,
Chem. Phys. Lett., 1989, 157, 5, 467, https://doi.org/10.1016/0009-2614(89)87282-3
. [all data]
Notes
Go To: Top, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), References
- Symbols used in this document:
AE Appearance energy T Temperature ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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