1-Pentyl radical
- Formula: C5H11
- Molecular weight: 71.1408
- IUPAC Standard InChIKey: BFKVXNPJXXJUGQ-UHFFFAOYSA-N
- CAS Registry Number: 2672-01-7
- Chemical structure:
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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 compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
View reactions leading to C5H11+ (ion structure unspecified)
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
7.85 | EST | Lias, Bartmess, et al., 1988 | LL |
7.94 ± 0.06 | EI | Lossing and Maccoll, 1976 | LLK |
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: X
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
1-CH2 a-stretch | 3103 | Ar | IR | Pacansky and Gutierrez, 1983 Pacansky, Waltman, et al., 1996 | |||
1-CH2 s-stretch | 3025 | Ar | IR | Pacansky and Gutierrez, 1983 Pacansky, Waltman, et al., 1996 | |||
2-CH2 a-stretch | 2838 | Ar | IR | Pacansky and Gutierrez, 1983 Pacansky, Waltman, et al., 1996 | |||
2-CH2 s-stretch | 2802 | Ar | IR | Pacansky and Gutierrez, 1983 Pacansky, Waltman, et al., 1996 | |||
2-CH2 deform. | 1425 | Ar | IR | Pacansky and Gutierrez, 1983 Pacansky, Waltman, et al., 1996 | |||
2-CH2 deform. | 1181 | Ar | IR | Pacansky and Gutierrez, 1983 Pacansky, Waltman, et al., 1996 | |||
1096 | Ar | IR | Pacansky and Gutierrez, 1983 | ||||
(C4H9)CCH2 OPLA | 519 | s | Ar | IR | Pacansky and Gutierrez, 1983 Pacansky, Waltman, et al., 1996 | ||
Additional references: Jacox, 1994, page 386; Jacox, 1998, page 346
Notes
s | Strong |
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.
Lias, Bartmess, et al., 1988
Lias, S.G.; Bartmess, J.E.; Liebman, J.F.; Holmes, J.L.; Levin, R.D.; Mallard, W.G.,
Gas-phase ion and neutral thermochemistry,
J. Phys. Chem. Ref. Data, Suppl. 1, 1988, 17, 1-861. [all data]
Lossing and Maccoll, 1976
Lossing, F.P.; Maccoll, A.,
Free radicals by mass spectrometry, XLVII. Ionization potentials ionic and heats of formation of C5-C7 alkyl radicals,
Can. J. Chem., 1976, 54, 990. [all data]
Pacansky and Gutierrez, 1983
Pacansky, J.; Gutierrez, A.,
Infrared spectra of the n-butyl and n-pentyl radicals,
J. Phys. Chem., 1983, 87, 16, 3074, https://doi.org/10.1021/j100239a023
. [all data]
Pacansky, Waltman, et al., 1996
Pacansky, J.; Waltman, R.J.; Barnes, L.A.,
Studies on the Vibrational Frequencies and Intensities of Primary Alkyl Radicals, CH,
J. Phys. Chem., 1996, 100, 42, 16828, https://doi.org/10.1021/jp961679p
. [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]
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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