Selenium(IV) oxide
- Formula: O2Se
- Molecular weight: 110.96
- IUPAC Standard InChIKey: JPJALAQPGMAKDF-UHFFFAOYSA-N
- CAS Registry Number: 7446-08-4
- 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. - Other names: Selenium oxide; Selenium dioxide; SeO2; Selenious anhydride; Selenium oxide (SeO2); Selenium(iv) dioxide (1:2); Rcra waste number U204; Selenous acid anhydride
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Phase change data
Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), 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.
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
430. to 590. | 8.32405 | 5199.756 | 34.002 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Gas phase ion energetics data
Go To: Top, Phase change data, Mass spectrum (electron ionization), 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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess
View reactions leading to O2Se+ (ion structure unspecified)
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
1.823 ± 0.040 | LPES | Snodgrass, Coe, et al., 1989 | B |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
11.5 ± 0.5 | EI | Ficalora, Thompson, et al., 1969 | RDSH |
11.76 | PE | Potts, 1977 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
SeO+ | 13.0 ± 0.5 | O | EI | Ficalora, Thompson, et al., 1969 | RDSH |
Se+ | 16.8 ± 0.5 | ? | EI | Ficalora, Thompson, et al., 1969 | RDSH |
Mass spectrum (electron ionization)
Go To: Top, Phase change data, 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: 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 | Chemical Concepts |
NIST MS number | 158252 |
Vibrational and/or electronic energy levels
Go To: Top, Phase change data, 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: Marilyn E. Jacox
State: C
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
To = 31982.17 | gas | C-X | 225 | 345 | Duchesne and Rosen, 1941 | ||
Haranath and Sivaramamurty, 1961 | |||||||
King and McLean, 1974 | |||||||
King and McLean, 1974, 2 | |||||||
Crowther and Brown, 2004 | |||||||
Crowther and Brown, 2004, 2 | |||||||
To = 31065 ± 20 | Xe | C-X | 242 | 322 | Voigt, Meyer, et al., 1970 | ||
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
a1 | 1 | Sym. stretch | 626.0 ± 0.5 | gas | AB LF | Duchesne and Rosen, 1941 King and McLean, 1974 Crowther and Brown, 2004 | |
1 | Sym. stretch | 620 | T | Xe | AB | Voigt, Meyer, et al., 1970 | |
2 | Bend | 265.3 ± 0.5 | gas | AB LF | King and McLean, 1974 Crowther and Brown, 2004 | ||
b2 | 3 | Asym. stretch | 671 | H T | gas | LF | Crowther and Brown, 2004 |
State: 3B2
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
To = 23840 | gas | 3B2-X | 370 | 500 | Duchesne and Rosen, 1947 | ||
Haranath and Sivaramamurty, 1961 | |||||||
King and Meatherall, 1984 | |||||||
Kr | 3B2-X | 475 | 600 | Voigt, Meyer, et al., 1970 | |||
Xe | 3B2-X | 475 | 615 | Voigt, Meyer, et al., 1970 | |||
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
a1 | 1 | Sym. stretch | 780 | gas | AB | King and Meatherall, 1984 | |
2 | Bend | 199 | gas | AB EM | Duchesne and Rosen, 1947 Haranath and Sivaramamurty, 1961 King and Meatherall, 1984 | ||
b2 | 3 | Asym. stretch | 863 | gas | AB | King and Meatherall, 1984 | |
State: X
Additional references: Jacox, 1998, page 200; Jacox, 2003, page 144; Takeo, Hirota, et al., 1970
Notes
w | Weak |
s | Strong |
H | (1/2)(2ν) |
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, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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.
Stull, 1947
Stull, Daniel R.,
Vapor Pressure of Pure Substances. Organic and Inorganic Compounds,
Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022
. [all data]
Snodgrass, Coe, et al., 1989
Snodgrass, J.T.; Coe, J.V.; McHugh, K.M.; Freidhoff, C.B.; Bowen, K.H.,
Photoelectron Spectroscopy of the Selenium and Tellurium Containing Negative Ions: SeO2-, Se2- and Te2-,
J. Phys. Chem., 1989, 93, 4, 1249, https://doi.org/10.1021/j100341a016
. [all data]
Ficalora, Thompson, et al., 1969
Ficalora, P.J.; Thompson, J.C.; Margrave, J.L.,
Mass spectrometric studies at high temperatures-XXVI.The sublimation of SeO, and SeO3,
J. Inorg. Nucl. Chem., 1969, 31, 3771. [all data]
Potts, 1977
Potts, A.W.,
The valence electronic structure of SeO2 studied by UPS its relation to that of other group VIB dioxides,
J. Electron Spectrosc. Relat. Phenom., 1977, 11, 157. [all data]
Duchesne and Rosen, 1941
Duchesne, J.; Rosen, B.,
Recherches sur le spectre d'absorption de la molecule SeO2,
Physica, 1941, 8, 6, 540, https://doi.org/10.1016/S0031-8914(41)80036-6
. [all data]
Haranath and Sivaramamurty, 1961
Haranath, P.B.V.; Sivaramamurty, V.,
Indian J. Phys., 1961, 35, 599. [all data]
King and McLean, 1974
King, G.W.; McLean, P.R.,
Selenium dioxide: Vibrational analysis of the 3130 Å absorption system,
J. Mol. Spectrosc., 1974, 51, 2, 363, https://doi.org/10.1016/0022-2852(74)90065-4
. [all data]
King and McLean, 1974, 2
King, G.W.; McLean, P.R.,
Selenium dioxide,
J. Mol. Spectrosc., 1974, 52, 1, 154, https://doi.org/10.1016/0022-2852(74)90011-3
. [all data]
Crowther and Brown, 2004
Crowther, S.A.; Brown, J.M.,
The 313nm band system of SeO2. Part 1: vibrational structure,
J. Mol. Spectrosc., 2004, 225, 2, 196, https://doi.org/10.1016/j.jms.2004.03.005
. [all data]
Crowther and Brown, 2004, 2
Crowther, S.A.; Brown, J.M.,
The 313nm band system of SeO2. Part 2: rotational structure,
J. Mol. Spectrosc., 2004, 225, 2, 206, https://doi.org/10.1016/j.jms.2004.03.006
. [all data]
Voigt, Meyer, et al., 1970
Voigt, E.M.; Meyer, B.; Morelle, A.; Smith, J.J.,
The spectrum of matrix isolated SeO2: Evidence for slow internal conversion between excited states,
J. Mol. Spectrosc., 1970, 34, 2, 179, https://doi.org/10.1016/0022-2852(70)90085-8
. [all data]
Duchesne and Rosen, 1947
Duchesne, J.; Rosen, B.,
Contribution to the Study of Electronic Spectra of Bent Triatomic Molecules,
J. Chem. Phys., 1947, 15, 9, 631, https://doi.org/10.1063/1.1746620
. [all data]
King and Meatherall, 1984
King, G.W.; Meatherall, R.C.,
Selenium dioxide: Analysis of the 419-nm absorption system,
J. Mol. Spectrosc., 1984, 106, 1, 196, https://doi.org/10.1016/0022-2852(84)90093-6
. [all data]
Hastie, Hauge, et al., 1969
Hastie, J.W.; Hauge, R.; Margrave, J.L.,
Infra-red spectra and geometry of SO2 and SeO2 in rare gas matrices,
J. Inorg. Nucl. Chem., 1969, 31, 2, 281, https://doi.org/10.1016/0022-1902(69)80471-9
. [all data]
Nunziante Cesaro, Spoliti, et al., 1971
Nunziante Cesaro, S.; Spoliti, M.; Hinchcliffe, A.J.; Ogden, J.S.,
Infrared Spectrum and Thermodynamic Functions of Matrix Isolated SeO2,
J. Chem. Phys., 1971, 55, 12, 5834, https://doi.org/10.1063/1.1675762
. [all data]
Brabson, Andrews, et al., 1996
Brabson, G.D.; Andrews, L.; Marsden, C.J.,
Reactions of Selenium and Oxygen. Matrix Infrared Spectra and Density Functional Calculations of Novel Se,
J. Phys. Chem., 1996, 100, 41, 16487, https://doi.org/10.1021/jp961388g
. [all data]
Konings, Booij, et al., 1998
Konings, R.J.M.; Booij, A.S.; Kovacs, A.,
The infrared spectra of SeO2 and TeO2 in the gas phase,
Chem. Phys. Lett., 1998, 292, 4-6, 337, https://doi.org/10.1016/S0009-2614(98)00689-7
. [all data]
Giguere and Falk, 1960
Giguere, P.A.; Falk, M.,
The infrared spectra of selenium dioxide,
Spectrochim. Acta, 1960, 16, 1-2, 1, https://doi.org/10.1016/0371-1951(60)80064-1
. [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]
Takeo, Hirota, et al., 1970
Takeo, H.; Hirota, E.; Morino, Y.,
Equilibrium structure and potential function of selenium dioxide by microwave spectroscopy,
J. Mol. Spectrosc., 1970, 34, 3, 370, https://doi.org/10.1016/0022-2852(70)90020-2
. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, References
- Symbols used in this document:
AE Appearance energy EA Electron affinity - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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