Iron dioxide

Formula: FeO₂
Molecular weight: 87.844
IUPAC Standard InChI: InChI=1S/Fe.2O/q+3;2*-2
IUPAC Standard InChIKey: CNAVPPAEJHQFQP-UHFFFAOYSA-N
CAS Registry Number: 12411-15-3
Chemical structure:
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Gas phase ion energetics data

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Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
B - John E. Bartmess

Electron affinity determinations

EA (eV)	Method	Reference	Comment
2.358 ± 0.030	LPES	Wang, Wu, et al., 1996	B
2.360 ± 0.030	LPES	Wu, Desai, et al., 1996	B
2.358 ± 0.030	LPES	Fan and Wang, 1995	B
2.76 ± 0.25	R-A	Kaibicheva, Rudnyi, et al., 1992	value altered from reference due to conversion from electron convention to ion convention; B

Ionization energy determinations

IE (eV)	Method	Reference	Comment
9.5 ± 0.5	EI	Hildenbrand, 1975	LLK

Vibrational and/or electronic energy levels

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Data compiled by: Marilyn E. Jacox

State: A

Energy (cm^-1)	Med.	References


T_o = 7660 ± 320	gas	Wu, Desai, et al., 1996

State: X

Vib. sym.	No.	Approximate type of mode	cm^-1	Med.	Method	References


a₁	1	Sym. stretch	797.1	Ar	IR	Andrews, Chertihin, et al., 1996 Chertihin, Saffel, et al., 1996 Gong, Zhou, et al., 2007
b₂	3	Asym. stretch	945.8	Ar	IR	Abramowitz, Acquista, et al., 1977 Chang, Blyholder, et al., 1981 Serebrennikov, 1988 Fanfarillo, Downs, et al., 1992 Andrews, Chertihin, et al., 1996 Chertihin, Saffel, et al., 1996 Gong, Zhou, et al., 2007
	3	Asym. stretch	945.2	O₂	IR	Chertihin, Saffel, et al., 1996

Additional references: Jacox, 1998, page 176

Notes

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, NIST Free Links, Notes

Wang, Wu, et al., 1996
Wang, L.S.; Wu, H.; Desai, S.R., Sequential Oxygen Atom Chemisorption on Surfaces of Small Iron Clusters, Phys. Rev. Lett., 1996, 76, 25, 4853, https://doi.org/10.1103/PhysRevLett.76.4853 . [all data]

Wu, Desai, et al., 1996
Wu, H.; Desai, R.; Wang, L.-S., Observation and Photoelectron Spectroscopic Study of Novel Mono- and Di-iron Oxide Molecules: FeOy- (y=1-4) and Fe2Oy- (y=1-5), J. Am. Chem. Soc., 1996, 118, 22, 5296, https://doi.org/10.1021/ja954153b . [all data]

Fan and Wang, 1995
Fan, J.W.; Wang, L.S., Photoelectron spectroscopy of FeO- and FeO2-: Observation of low-spin excited states of FeO and determination of the electron affinity of Fe, J. Chem. Phys., 1995, 102, 22, 8714, https://doi.org/10.1063/1.468974 . [all data]

Kaibicheva, Rudnyi, et al., 1992
Kaibicheva, E.A.; Rudnyi, E.B.; Sidorov, L.N., Determination of Affinity to FeO2 Electron by the Ion-Molecular Equilibrium Method, Zh. Fiz. Khim. SSSR, 1992, 66, 3153. [all data]

Hildenbrand, 1975
Hildenbrand, D.L., Thermochemistry of molecular FeO, FeO⁺ and FeO₂, Chem. Phys. Lett., 1975, 34, 352. [all data]

Andrews, Chertihin, et al., 1996
Andrews, L.; Chertihin, G.V.; Ricca, A.; Bauschlicher, C.W., Jr., Reactions of Laser-Ablated Iron Atoms with Oxygen Molecules: Matrix Infrared Spectra and Density Functional Calculations of OFeO, FeOO, and Fe(O, J. Am. Chem. Soc., 1996, 118, 2, 467, https://doi.org/10.1021/ja953338f . [all data]

Chertihin, Saffel, et al., 1996
Chertihin, G.V.; Saffel, W.; Yustein, J.T.; Andrews, L.; Neurock, M.; Ricca, A.; Bauschlicher, C.W., Jr., Reactions of Laser-Ablated Iron Atoms with Oxygen Molecules in Condensing Argon. Infrared Spectra and Density Functional Calculations of Iron Oxide Product Molecules, J. Phys. Chem., 1996, 100, 13, 5261, https://doi.org/10.1021/jp953198w . [all data]

Gong, Zhou, et al., 2007
Gong, Y.; Zhou, M.; Andrews, L., Formation and Characterization of the Photochemically Interconvertible Side-On and End-On Bonded Dioxygen-Iron Dioxide Complexes in Solid Argon, J. Phys. Chem. A, 2007, 111, 47, 12001, https://doi.org/10.1021/jp0765805 . [all data]

Abramowitz, Acquista, et al., 1977
Abramowitz, S.; Acquista, N.; Levin, I.W., Infrared spectra of matrix isolated FeO2: Evidence for a cyclic iron-oxygen complex, Chem. Phys. Lett., 1977, 50, 3, 423, https://doi.org/10.1016/0009-2614(77)80357-6 . [all data]

Chang, Blyholder, et al., 1981
Chang, S.; Blyholder, G.; Fernandez, J., Iron-oxygen interactions in an argon matrix, Inorg. Chem., 1981, 20, 9, 2813, https://doi.org/10.1021/ic50223a015 . [all data]

Serebrennikov, 1988
Serebrennikov, L.V., Vestn. Mosk. Univ., 1988, Ser. 2: Khim. 29, 451. [all data]

Fanfarillo, Downs, et al., 1992
Fanfarillo, M.; Downs, A.J.; Greene, T.M.; Almond, M.J., Photooxidation of matrix-isolated iron pentacarbonyl. 2. Binary iron oxide reaction products and the overall reaction mechanism, Inorg. Chem., 1992, 31, 13, 2973, https://doi.org/10.1021/ic00039a054 . [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]

Notes

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Symbols used in this document:

EA Electron affinity
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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