1-Methyl ethoxy radical
- Formula: C3H7O
- Molecular weight: 59.0871
- IUPAC Standard InChIKey: ZOAMZFNAPHWBEN-UHFFFAOYSA-N
- CAS Registry Number: 3958-66-5
- Chemical structure:
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Vibrational and/or electronic energy levels
Go To: Top, 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 = 27171 | gas | B-X | 330 | 540 | Ohbayashi, Akimoto, et al., 1977 | ||
Balla, Nelson, et al., 1985 | |||||||
Foster, Hsu, et al., 1986 | |||||||
Bai, Okabe, et al., 1988 | |||||||
Mund, Fockenberg, et al., 1998 | |||||||
Carter, Atwell, et al., 2000 | |||||||
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
a' | 1212 | gas | LF | Carter, Atwell, et al., 2000 | |||
1152 | gas | LF | Carter, Atwell, et al., 2000 | ||||
938 | gas | LF | Carter, Atwell, et al., 2000 | ||||
C3 stretch | 860 | gas | LF | Carter, Atwell, et al., 2000 | |||
C-O stretch (w) | 574.4 | gas | LF | Balla, Nelson, et al., 1985 Foster, Hsu, et al., 1986 Mund, Fockenberg, et al., 1998 Carter, Atwell, et al., 2000 | |||
CCO s-deform. | 466 | gas | LF | Carter, Atwell, et al., 2000 | |||
CCO a-deform. | 449 | gas | LF | Carter, Atwell, et al., 2000 | |||
C3 deformation | 378 | gas | LF | Carter, Atwell, et al., 2000 | |||
CH3 s-torsion | 357 | gas | LF | Carter, Atwell, et al., 2000 | |||
CH3 a-torsion | 344 | gas | LF | Carter, Atwell, et al., 2000 | |||
290 ± 10 | gas | LF | Mund, Fockenberg, et al., 1998 | ||||
State: A
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
To = 68 ± 30 | gas | Jin, Sioutis, et al., 2004 | |||||
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
14,15 | CO stretch | 1140 ± 30 | gas | LF | Jin, Sioutis, et al., 2004 | ||
18 | 986 ± 30 | gas | LF | Jin, Sioutis, et al., 2004 | |||
19 | CO stretch | 913 ± 30 | gas | LF | Jin, Sioutis, et al., 2004 | ||
22 | 824 ± 30 | gas | LF | Jin, Sioutis, et al., 2004 | |||
23 | 456 ± 30 | gas | LF | Jin, Sioutis, et al., 2004 | |||
State: X
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
14 | CO stretch | 1169 ± 30 | gas | PE LF | Ramond, Davico, et al., 2000 Jin, Sioutis, et al., 2004 | ||
15 | 1125 ± 30 | gas | LF | Jin, Sioutis, et al., 2004 | |||
17 | 1033 ± 30 | gas | LF | Jin, Sioutis, et al., 2004 | |||
18 | 1002 ± 30 | gas | LF | Jin, Sioutis, et al., 2004 | |||
19 | CO stretch | 932 ± 30 | gas | LF PE | Bai, Okabe, et al., 1988 Mund, Fockenberg, et al., 1998 Ramond, Davico, et al., 2000 Jin, Sioutis, et al., 2004 | ||
22 | 837 ± 30 | gas | LF | Jin, Sioutis, et al., 2004 | |||
23 | 483 ± 30 | gas | PE LF | Ramond, Davico, et al., 2000 Jin, Sioutis, et al., 2004 | |||
24 | 398 ± 30 | gas | PE LF | Ramond, Davico, et al., 2000 Jin, Sioutis, et al., 2004 | |||
26 | 254 ± 30 | gas | LF | Jin, Sioutis, et al., 2004 | |||
Additional references: Jacox, 1994, page 416; Jacox, 2003, page 391; Gopalakrishnan, Zu, et al., 2003
Notes
o | Energy separation between the v = 0 levels of the excited and electronic ground states. |
References
Go To: Top, 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.
Ohbayashi, Akimoto, et al., 1977
Ohbayashi, K.; Akimoto, H.; Tanaka, I.,
Emission spectra of methoxyl, ethoxyl, and isopropoxyl radicals,
J. Phys. Chem., 1977, 81, 8, 798, https://doi.org/10.1021/j100523a023
. [all data]
Balla, Nelson, et al., 1985
Balla, R.J.; Nelson, H.H.; McDonald, J.R.,
Kinetics of the reactions of isopropoxy radicals with NO, NO2, and O2,
Chem. Phys., 1985, 99, 2, 323, https://doi.org/10.1016/0301-0104(85)80129-4
. [all data]
Foster, Hsu, et al., 1986
Foster, S.C.; Hsu, Y.-C.; Damo, C.P.; Liu, X.; Kung, C.-Y.; Miller, T.A.,
Implications of the rotationally resolved spectra of the alkoxy radicals for their electronic structure,
J. Phys. Chem., 1986, 90, 26, 6766, https://doi.org/10.1021/j100284a011
. [all data]
Bai, Okabe, et al., 1988
Bai, J.; Okabe, H.; Halpern, J.B.,
Fluorescence spectrum and lifetime of i-C3H7O radical,
Chem. Phys. Lett., 1988, 149, 1, 37, https://doi.org/10.1016/0009-2614(88)80344-0
. [all data]
Mund, Fockenberg, et al., 1998
Mund, Ch.; Fockenberg, Ch.; Zellner, R.,
LIF spectra of n-propoxy and i-propoxy radicals and kinetics of their reactions with O2 and NO2,
Ber. Bunsenges. Phys. Chem., 1998, 102, 5, 709, https://doi.org/10.1002/bbpc.19981020502
. [all data]
Carter, Atwell, et al., 2000
Carter, C.C.; Atwell, J.R.; Gopalakrishnan, S.; Miller, T.A.,
Jet-Cooled Laser-Induced Fluorescence Spectroscopy of Some Alkoxy Radicals,
J. Phys. Chem. A, 2000, 104, 40, 9165, https://doi.org/10.1021/jp001835z
. [all data]
Jin, Sioutis, et al., 2004
Jin, J.; Sioutis, I.; Tarczay, G.; Gopalakrishnan, S.; Bezant, A.; Miller, T.A.,
Dispersed fluorescence spectroscopy of primary and secondary alkoxy radicals,
J. Chem. Phys., 2004, 121, 23, 11780, https://doi.org/10.1063/1.1814104
. [all data]
Ramond, Davico, et al., 2000
Ramond, T.M.; Davico, G.E.; Schwartz, R.L.; Lineberger, W.C.,
Vibronic structure of alkoxy radicals via photoelectron spectroscopy,
J. Chem. Phys., 2000, 112, 3, 1158, https://doi.org/10.1063/1.480767
. [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, 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]
Gopalakrishnan, Zu, et al., 2003
Gopalakrishnan, S.; Zu, L.; Miller, T.A.,
Radiative and non-radiative decay of selected vibronic levels of the state of alkoxy radicals,
Chem. Phys. Lett., 2003, 380, 5-6, 749, https://doi.org/10.1016/j.cplett.2003.08.124
. [all data]
Notes
Go To: Top, Vibrational and/or electronic energy levels, References
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