nickel dioxide
- Formula: NiO2
- Molecular weight: 90.6922
- IUPAC Standard InChI: InChI=1S/Ni.2O/q+3;2*-2
- IUPAC Standard InChIKey: SZUBSIRCQFUCTF-UHFFFAOYSA-N
- CAS Registry Number: 12035-36-8
- Chemical structure:
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Gas phase ion energetics data
Go To: Top, 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: John E. Bartmess
Electron affinity determinations
| EA (eV) | Method | Reference | Comment |
|---|---|---|---|
| 3.0430 ± 0.0050 | LPES | Ramond, Davico, et al., 2002 | |
| 0.820 ± 0.030 | LPES | Wu and Wang, 1997 | Cluster ion: Ni..(O2)-. |
| 3.050 ± 0.010 | LPES | Wu and Wang, 1997 | Linear ONiO isomer |
Vibrational and/or electronic energy levels
Go To: Top, 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: Marilyn E. Jacox
State: b
| Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
|---|---|---|---|---|---|---|---|
| To = 6210 ± 240 | gas | Wu and Wang, 1997 | |||||
| Wu and Wang, 1997 | |||||||
State: a
| Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
|---|---|---|---|---|---|---|---|
| To = 3230 ± 160 | gas | Wu and Wang, 1997 | |||||
| Wu and Wang, 1997 | |||||||
State: X
| Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
|---|---|---|---|---|---|---|---|
| Σg+ | 1 | Sym. stretch | 745 ± 30 | gas | PE | Wu and Wang, 1997 Ramond, Davico, et al., 2002, 2 | |
| 1 | Sym. stretch | 749 | T | Ne | IR | Allouti, Manceron, et al., 2006 | |
| Πu | 2 | Bend | 129.9 | Ne | IR | Allouti, Manceron, et al., 2006 | |
| 2 | Bend | 125.0 | Ar | IR | Danset, Manceron, et al., 2001 | ||
| Σu+ | 3 | Asym. stretch | 967.7 | Ne | IR | Allouti, Manceron, et al., 2006 | |
| 3 | Asym. stretch | 954.9 | Ar | IR | Citra, Chertihin, et al., 1997 Danset, Manceron, et al., 2001 | ||
| 3 | Asym. stretch | 959.5 | N2 | IR | Citra, Chertihin, et al., 1997 | ||
Additional references: Jacox, 1998, page 177; Jacox, 2003, page 106
Notes
| T | Tentative assignment or approximate value |
| o | Energy separation between the v = 0 levels of the excited and electronic ground states. |
References
Go To: Top, 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.
Ramond, Davico, et al., 2002
Ramond, T.M.; Davico, G.E.; Hellberg, F.; Svedberg, F.; Salen, P.; Soderqvist, P.; Lineberger, W.C.,
Photoelectron spectroscopy of nickel, palladium, and platinum oxide anions,
J. Molec. Spectros., 2002, 216, 1, 1-14, https://doi.org/10.1006/jmsp.2002.8669
. [all data]
Wu and Wang, 1997
Wu, H.; Wang, L.-S.,
A Study of Nickel Monoxide (NiO), Nickel Dioxide (NiO2) and Ni(O2) Complex by Anion Photoelectron Spectroscopy,
J. Chem. Phys., 1997, 107, 1, 16, https://doi.org/10.1063/1.474362
. [all data]
Ramond, Davico, et al., 2002, 2
Ramond, T.M.; Davico, G.E.; Hellberg, F.; Svedberg, F.; Salen, P.; Soderqvist, P.; Lineberger, W.C.,
Photoelectron Spectroscopy of Nickel, Palladium, and Platinum Oxide Anions,
J. Mol. Spectrosc., 2002, 216, 1, 1, https://doi.org/10.1006/jmsp.2002.8669
. [all data]
Allouti, Manceron, et al., 2006
Allouti, F.; Manceron, L.; Alikhani, M.E.,
The Ni + O2 reaction: A combined IR matrix isolation and theoretical study of the formation and structure of NiO2,
Phys. Chem. Chem. Phys., 2006, 8, 4, 448, https://doi.org/10.1039/b513038g
. [all data]
Danset, Manceron, et al., 2001
Danset, D.; Manceron, L.; Andrews, L.,
Vibrational Spectra of Nickel and Platinum Dioxide Molecules Isolated in Solid Argon,
J. Phys. Chem. A, 2001, 105, 30, 7205, https://doi.org/10.1021/jp010605x
. [all data]
Citra, Chertihin, et al., 1997
Citra, A.; Chertihin, G.V.; Andrews, L.; Neurock, M.,
Reactions of Laser-Ablated Nickel Atoms with Dioxygen. Infrared Spectra and Density Functional Calculations of Nickel Oxides NiO, ONiO, Ni,
J. Phys. Chem. A, 1997, 101, 17, 3109, https://doi.org/10.1021/jp970019x
. [all data]
Jacox, 1998
Jacox, M.E.,
Vibrational and electronic energy levels of polyatomic transient molecules: supplement A,
J. Phys. Chem. Ref. Data, 1998, 27, 2, 115-393, https://doi.org/10.1063/1.556017
. [all data]
Jacox, 2003
Jacox, M.E.,
Vibrational and electronic energy levels of polyatomic transient molecules: supplement B,
J. Phys. Chem. Ref. Data, 2003, 32, 1, 1-441, https://doi.org/10.1063/1.1497629
. [all data]
Notes
Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
EA Electron affinity - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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