Methyl, 1,2-phenylenebis-
- Formula: C8H8
- Molecular weight: 104.1491
- IUPAC Standard InChI: InChI=1S/C8H8/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H2
- IUPAC Standard InChIKey: XURVRZSODRHRNK-UHFFFAOYSA-N
- CAS Registry Number: 32714-83-3
- Chemical structure:
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Gas phase ion energetics data
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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: John E. Bartmess
View reactions leading to C8H8+ (ion structure unspecified)
Electron affinity determinations
| EA (eV) | Method | Reference | Comment |
|---|---|---|---|
| 0.9190 ± 0.0080 | LPES | Wenthold, Kim, et al., 1997 | Triplet state. Singlet state is 9.6±0.2 kcal/mol up. |
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 = 7520 | U | gas | Wenthold, Kim, et al., 1997 | ||||
State: a
| Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
|---|---|---|---|---|---|---|---|
| To = 3350 ± 65 | gas | Wenthold, Kim, et al., 1997 | |||||
| Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
|---|---|---|---|---|---|---|---|
| a1 | 1260 ± 40 | gas | PE | Wenthold, Kim, et al., 1997 | |||
| 1000 ± 40 | gas | PE | Wenthold, Kim, et al., 1997 | ||||
| 265 ± 20 | gas | PE | Wenthold, Kim, et al., 1997 | ||||
State: X
| Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
|---|---|---|---|---|---|---|---|
| a1 | CH2 scissors | 1500 ± 40 | gas | PE | Wenthold, Kim, et al., 1997 | ||
| Ring deform. | 540 ± 20 | gas | PE | Wenthold, Kim, et al., 1997 | |||
| Ring=C bend | 290 ± 20 | gas | PE | Wenthold, Kim, et al., 1997 | |||
Additional references: Jacox, 1998, page 351
Notes
| U | Upper bound |
| 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, NIST Free Links, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Wenthold, Kim, et al., 1997
Wenthold, P.G.; Kim, J.B.; Lineberger, W.C.,
Photoelectron Spectroscopy of m-Xylylene Anion,
J. Am. Chem. Soc., 1997, 119, 6, 1354, https://doi.org/10.1021/ja9623830
. [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
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- Symbols used in this document:
EA Electron affinity - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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