n-Propoxy radical
- Formula: C3H7O
- Molecular weight: 59.0871
- IUPAC Standard InChIKey: JAVBBFXUGDCHLZ-UHFFFAOYSA-N
- CAS Registry Number: 16499-18-6
- Chemical structure:
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Vibrational and/or electronic energy levels
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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 = 28634.21 | gas | B-X | 335 | 520 | Bai, Okabe, et al., 1989 | ||
Mund, Fockenberg, et al., 1998 | |||||||
Carter, Atwell, et al., 2000 | |||||||
Gopalakrishnan, Carter, et al., 2003 | |||||||
Jin, Sioutis, et al., 2004 | |||||||
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
CO stretch | 595.31 | gas | LF | Mund, Fockenberg, et al., 1998 Carter, Atwell, et al., 2000 Gopalakrishnan, Carter, et al., 2003 | |||
State: A
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
To = 214 ± 15 | gas | Jin, Sioutis, et al., 2004 | |||||
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
17 | 1040 ± 15 | gas | LF | Jin, Sioutis, et al., 2004 | |||
18 | CO stretch | 1068 ± 15 | gas | LF | Jin, Sioutis, et al., 2004 | ||
19 | 990 ± 15 | gas | LF | Jin, Sioutis, et al., 2004 | |||
State: X
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
17 | 1039 ± 15 | gas | LF | Jin, Sioutis, et al., 2004 | |||
CO stretch | 1066 ± 15 | gas | LF | Bai, Okabe, et al., 1989 Mund, Fockenberg, et al., 1998 Jin, Sioutis, et al., 2004 | |||
19 | 973 ± 15 | gas | LF | Jin, Sioutis, et al., 2004 | |||
21 | 859 ± 15 | gas | LF | Jin, Sioutis, et al., 2004 | |||
22 | 743 ± 15 | gas | LF | Jin, Sioutis, et al., 2004 | |||
23 | 485 ± 15 | gas | LF | Jin, Sioutis, et al., 2004 | |||
24 | 383 ± 15 | gas | LF | Jin, Sioutis, et al., 2004 | |||
25 | 302 ± 15 | gas | LF | Jin, Sioutis, et al., 2004 | |||
27 | 135 ± 15 | gas | LF | Jin, Sioutis, et al., 2004 | |||
Additional references: Jacox, 1994, page 416; Jacox, 2003, page 390; 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.
Bai, Okabe, et al., 1989
Bai, J.; Okabe, H.; Emadi-Babaki, M.K.,
J. Photochem. Photobiol., 1989, A:Chem. 50, 163. [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]
Gopalakrishnan, Carter, et al., 2003
Gopalakrishnan, S.; Carter, C.C.; Zu, L.; Stakhursky, V.; Tarczay, G.; Miller, T.A.,
Rotationally resolved B--X electronic spectra of both conformers of the 1-propoxy radical,
J. Chem. Phys., 2003, 118, 11, 4954, https://doi.org/10.1063/1.1545441
. [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]
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
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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