(2H3)ammonia
- Formula: D3N
- Molecular weight: 20.0490
- CAS Registry Number: 13550-49-7
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Phase change data
Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, 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: Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tfus | 199. | K | N/A | Taylor and Jungers, 1933 | Uncertainty assigned by TRC = 0.5 K |
Gas phase ion energetics data
Go To: Top, Phase change data, Vibrational and/or electronic energy levels, 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
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
10.083 ± 0.010 | PI | Locht, Leyh, et al., 1991 | LL |
10.21 | PE | Potts and Price, 1972 | LLK |
14.94 ± 0.03 | PE | Weiss and Lawrence, 1970 | RDSH |
10.18 ± 0.01 | PE | Weiss and Lawrence, 1970 | RDSH |
10.17 | PE | Branton, Frost, et al., 1969 | RDSH |
15.15 | PE | Branton, Frost, et al., 1969 | RDSH |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
D2N+ | 15.72 ± 0.04 | D | EI | Locht, Servais, et al., 1988 | LL |
D2N+ | 15.90 ± 0.015 | D | PIPECO | Powis, 1982 | LBLHLM |
D2N+ | 15.89 ± 0.01 | D | PI | McCulloh, 1976 | LLK |
Vibrational and/or electronic energy levels
Go To: Top, Phase change data, 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.
Data compiled by: Takehiko Shimanouchi
Symmetry: C3ν Symmetry Number σ = 3
Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
---|---|---|---|---|---|---|---|---|---|---|
Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
a1 | 1 | Sym str | 2420 | C | 2420.1 | gas | symmetric level (- )FR(2ν4) | |||
a1 | 1 | Sym str | 2420 | C | 2420.6 | gas | antisymmetric level (- )FR(2ν4) | |||
a1 | 2 | Sym deform | 748 | B | 745.7 | gas | symmetric level | |||
a1 | 2 | Sym deform | 748 | B | 749.4 | gas | antisymmetric level | |||
e | 3 | Deg str | 2564 | A | 2564 | gas | ||||
e | 4 | Deg deform | 1191 | B | 1191 | gas | ||||
Source: Shimanouchi, 1972
Notes
FR | Fermi resonance with an overtone or a combination tone indicated in the parentheses. |
A | 0~1 cm-1 uncertainty |
B | 1~3 cm-1 uncertainty |
C | 3~6 cm-1 uncertainty |
References
Go To: Top, Phase change data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Taylor and Jungers, 1933
Taylor, H.S.; Jungers, J.C.,
The Deuteroammonias,
J. Am. Chem. Soc., 1933, 55, 5057-8. [all data]
Locht, Leyh, et al., 1991
Locht, R.; Leyh, B.; Denzer, W.; Hagenow, G.; Baumgartel, H.,
The photoionization of ammonia revisited. The vibrational autoionization of NH3 and its three isotopomers in the 10-12 eV photon energy range,
Chem. Phys., 1991, 155, 407. [all data]
Potts and Price, 1972
Potts, A.W.; Price, W.C.,
Photoelectron spectra and valence shell orbital structures of groups V VI hydrides,
Proc. R. Soc. London A:, 1972, 326, 181. [all data]
Weiss and Lawrence, 1970
Weiss, M.J.; Lawrence, G.M.,
Photoelectron spectroscopy of NH3 and ND3 using molecular beams,
J. Chem. Phys., 1970, 53, 214. [all data]
Branton, Frost, et al., 1969
Branton, G.R.; Frost, D.C.; Herring, F.G.; McDowell, C.A.; Stenhouse, I.A.,
The ionization potentials of ammonia and ammonia-d3, measured by photoelectron spectroscopy, and an INDO calculation of these values,
Chem. Phys. Lett., 1969, 3, 581. [all data]
Locht, Servais, et al., 1988
Locht, R.; Servais, C.; Ligot, M.; Derwa, F.; Momigny, J.,
The dissociative electroionization of ammonia and ammonia-d3. I. The NH+ and NH2+ dissociation channels,
Chem. Phys., 1988, 123, 443. [all data]
Powis, 1982
Powis, I.,
Energy disposal in the rotational pre-dissociation of ND3,
Chem. Phys., 1982, 68, 251. [all data]
McCulloh, 1976
McCulloh, K.E.,
Energetics and mechanisms of fragment ion formation in the photoionization of normal and deuterated water and ammonia,
Int. J. Mass Spectrom. Ion Phys., 1976, 21, 333. [all data]
Shimanouchi, 1972
Shimanouchi, T.,
Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
AE Appearance energy Tfus Fusion (melting) point - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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