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
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 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
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: 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, 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
Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
EA Electron affinity - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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