Formaldehyde, seleno-
- Formula: CH2Se
- Molecular weight: 92.99
- CAS Registry Number: 6596-50-5
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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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
Data compiled as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Proton affinity (review) | 182.6 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 175.6 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
8.95 | PE | Bock, Aygen, et al., 1984 | LBLHLM |
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: A
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
To = 13555 | T | gas | A-X | 685 | 833 | Clouthier, Judge, et al., 1987 | |
Judge, Clouthier, et al., 1988 | |||||||
Glinski, Taylor, et al., 1991 | |||||||
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
a1 | 3 | C=Se stretch | 662 | gas | LF | Judge, Clouthier, et al., 1988 | |
b1 | 4 | OPLA | 355 | T | gas | LF | Judge, Clouthier, et al., 1988 |
State: a
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
To = 12162.514 | gas | a-X | 658 | 865 | Judge and Moule, 1984 | ||
Glinski, Mishalanie, et al., 1986 | |||||||
Clouthier, Judge, et al., 1987 | |||||||
Judge, Clouthier, et al., 1988 | |||||||
Glinski, Taylor, et al., 1991 | |||||||
Joo, Clouthier, et al., 1995 | |||||||
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
a1 | 2 | CH2 scissors | 1312 | gas | LF | Clouthier, Judge, et al., 1987 Judge, Clouthier, et al., 1988 | |
3 | C=Se stretch | 704 | gas | AB CL | Judge and Moule, 1984 Glinski, Mishalanie, et al., 1986 Glinski, Taylor, et al., 1991 | ||
3 | C=Se stretch | 704 | gas | LF | Clouthier, Judge, et al., 1987 Judge, Clouthier, et al., 1988 | ||
b1 | 4 | OPLA | 297 | gas | AB LF | Judge and Moule, 1984 Clouthier, Judge, et al., 1987 Judge, Clouthier, et al., 1988 | |
b2 | 6 | HCSe bend | 812 | gas | LF | Clouthier, Judge, et al., 1987 Judge, Clouthier, et al., 1988 | |
State: X
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
a1 | 1 | CH2 s-stretch | 2972.5 | m | Ar | IR | Beckers, Kim, et al., 2008 |
2 | CH2 scissors | 1460 ± 30 | gas | CL | Glinski, Taylor, et al., 1991 | ||
2 | CH2 scissors | 1413.3 | w | Ar | IR | Beckers, Kim, et al., 2008 | |
3 | C=Se stretch | 860 ± 10 | gas | CL | Glinski, Taylor, et al., 1991 | ||
3 | C=Se stretch | 854.2 | w | Ar | IR | Beckers, Kim, et al., 2008 | |
b1 | 4 | OPLA | 906 ± 10 | gas | CL | Glinski, Taylor, et al., 1991 | |
4 | OPLA | 916.4 | vs | Ar | IR | Beckers, Kim, et al., 2008 | |
b2 | 5 | CH2 a-stretch | 3052.9 | w | Ar | IR | Beckers, Kim, et al., 2008 |
6 | HCSe bend | 914 ± 10 | gas | CL | Glinski, Taylor, et al., 1991 | ||
6 | HCSe bend | 913.2 | w m | Ar | IR | Beckers, Kim, et al., 2008 | |
Additional references: Jacox, 1994, page 145; Jacox, 1998, page 226; Jacox, 2003, page 174; Brown, Godfrey, et al., 1985; Brown, Godfrey, et al., 1986; Clouthier, Judge, et al., 1990; Joo, Clouthier, et al., 2000
Notes
w | Weak |
m | Medium |
vs | Very strong |
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.
Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G.,
Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update,
J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018
. [all data]
Bock, Aygen, et al., 1984
Bock, H.; Aygen, S.; Rosmus, P.; Solouki, B.; Weissflog, E.,
Gasphasen-reaktionen,40. Selenoformaldehyd: Hochkorrelierte wellenfunktion und photoelektronenspektroskopischer nachweis,
Chem. Ber., 1984, 117, 187. [all data]
Clouthier, Judge, et al., 1987
Clouthier, D.J.; Judge, R.H.; Moule, D.C.,
The laser excitation spectrum of selenoformaldehyde: vibrational analyses of the 1A2 ← 1A1 and 3A2 ← 1A1 electronic transitions,
Chem. Phys., 1987, 114, 3, 417, https://doi.org/10.1016/0301-0104(87)85055-3
. [all data]
Judge, Clouthier, et al., 1988
Judge, R.H.; Clouthier, D.J.; Moule, D.C.,
The laser excitation spectrum of CH2Se and CD2Se in the near infrared,
J. Chem. Phys., 1988, 89, 4, 1807, https://doi.org/10.1063/1.455128
. [all data]
Glinski, Taylor, et al., 1991
Glinski, R.J.; Taylor, C.D.; Martin, H.R.,
Chemiluminescence spectra of thioformaldehyde and selenoformaldehyde,
J. Phys. Chem., 1991, 95, 16, 6159, https://doi.org/10.1021/j100169a021
. [all data]
Judge and Moule, 1984
Judge, R.H.; Moule, D.C.,
Detection of a3A2(n,.pi.*) selenoformaldehyde by flash pyrolysis,
J. Am. Chem. Soc., 1984, 106, 19, 5406, https://doi.org/10.1021/ja00331a004
. [all data]
Glinski, Mishalanie, et al., 1986
Glinski, R.J.; Mishalanie, E.A.; Birks, J.W.,
Selenoformaldehyde phosphorescence observed in the reaction of molecular fluorine with dimethyl diselenide,
J. Am. Chem. Soc., 1986, 108, 3, 531, https://doi.org/10.1021/ja00263a042
. [all data]
Joo, Clouthier, et al., 1995
Joo, D.-L.; Clouthier, D.J.; Judge, R.H.; Moule, D.C.,
Very large zero field splittings in the triplet state of an asymmetric top: Rotational analysis and Zeeman effects in the 820 nm a 3A2-- X 1A1 band system of selenoformaldehyde,
J. Chem. Phys., 1995, 102, 19, 7351, https://doi.org/10.1063/1.469047
. [all data]
Beckers, Kim, et al., 2008
Beckers, H.; Kim, Y.S.; Willner, H.,
Infrared Spectrum of Matrix Isolated Selenoformaldehyde, CH,
Inorg. Chem., 2008, 47, 5, 1693, https://doi.org/10.1021/ic702237v
. [all data]
Jacox, 1994
Jacox, M.E.,
Vibrational and electronic energy levels of polyatomic transient molecules, American Chemical Society, Washington, DC, 1994, 464. [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]
Brown, Godfrey, et al., 1985
Brown, R.D.; Godfrey, P.D.; McNaughton, D.,
The microwave spectrum of selenoformaldehyde,
Chem. Phys. Lett., 1985, 118, 1, 29, https://doi.org/10.1016/0009-2614(85)85259-3
. [all data]
Brown, Godfrey, et al., 1986
Brown, R.D.; Godfrey, P.D.; McNaughton, D.; Taylor, P.R.,
The structure of H2CSe from microwave spectroscopy,
J. Mol. Spectrosc., 1986, 120, 2, 292, https://doi.org/10.1016/0022-2852(86)90005-6
. [all data]
Clouthier, Judge, et al., 1990
Clouthier, D.J.; Judge, R.H.; Moule, D.C.,
Selenoformaldehyde: Rotational analysis of the 735 nm band system of H2C78Se, H2C80Se, and D2C80Se from high-resolution laser fluorescence excitation spectra,
J. Mol. Spectrosc., 1990, 141, 2, 175, https://doi.org/10.1016/0022-2852(90)90157-L
. [all data]
Joo, Clouthier, et al., 2000
Joo, D.-L.; Clouthier, D.J.; Judge, R.H.,
Experimental proof of the case (ab) coupling hypothesis in the first excited triplet state of selenoformaldehyde (H[sub 2]C[Double Bond]Se),
J. Chem. Phys., 2000, 112, 5, 2285, https://doi.org/10.1063/1.480827
. [all data]
Notes
Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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