2-Propynylidyne
- Formula: C3H
- Molecular weight: 37.0400
- IUPAC Standard InChI: InChI=1S/C3H2/c1-3-2/h1-2H
- IUPAC Standard InChIKey: OUSWHEMIRJJMAW-UHFFFAOYSA-N
- CAS Registry Number: 53590-28-6
- Chemical structure:
This structure is also available as a 2d Mol file - Species with the same structure:
- Other names: 2-Propynylidene
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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 as indicated in comments:
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess
View reactions leading to C3H+ (ion structure unspecified)
Electron affinity determinations
| EA (eV) | Method | Reference | Comment |
|---|---|---|---|
| 1.9990 ± 0.0030 | N/A | Sheehan, Parsons, et al., 2008 | cyclic isomer, singlet anion ground state.; B |
| 1.8440 ± 0.0030 | N/A | Sheehan, Parsons, et al., 2008 | Linear/bent isomer, triplet anion, doublet neutral; B |
| 1.858 ± 0.027 | LPES | Oakes and Ellison, 1986 | From propene discharge; geometry unspecified. Liekly linear/bent form ( Sheehan, Parsons, et al., 2008); B |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C3+ | 17.1 ± 0.5 | H | EI | Dibeler, Reese, et al., 1961 | RDSH |
References
Go To: Top, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Sheehan, Parsons, et al., 2008
Sheehan, S.M.; Parsons, B.F.; Zhou, J.; Garand, E.; Yen, T.A.; Moore, D.T.; Neumark, D.M.,
Characterization of cyclic and linear C3H- and C3H via anion photoelectron spectroscopy,
J. Chem. Phys., 2008, 128, 3, 034301, https://doi.org/10.1063/1.2812561
. [all data]
Oakes and Ellison, 1986
Oakes, J.M.; Ellison, G.B.,
Photoelectron spectroscopy of radical anions,
Tetrahedron, 1986, 42, 6263. [all data]
Dibeler, Reese, et al., 1961
Dibeler, V.H.; Reese, R.M.; Franklin, J.L.,
Mass spectrometric study of cyanogen and cyanoacetylenes,
J. Am. Chem. Soc., 1961, 83, 1813. [all data]
Notes
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- Symbols used in this document:
AE Appearance energy EA Electron affinity - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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