- Formula: C3H2
- Molecular weight: 38.0480
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: LPUFMQSFYARLPQ-UHFFFAOYSA-N
- CAS Registry Number: 60731-10-4
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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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:
LL - Sharon G. Lias and Joel F. Liebman
B - John E. Bartmess
View reactions leading to C3H2+ (ion structure unspecified)
Electron affinity determinations
|1.7957 ± 0.0010||N/A||Stanton, Garand, et al., 2012||B|
|1.7940 ± 0.0080||LPES||Robinson, Polak, et al., 1995||neutral triplet state: 29.7±0.2 kcal/mol up; B|
|1.794 ± 0.025||LPES||Oakes and Ellison, 1986||From propene discharge; geometry unspecified. Liekly linear/bent form ( Sheehan, Parsons, et al., 2008); B|
Ionization energy determinations
|10.43 ± 0.02||PI||Clauberg, Minsek, et al., 1992||LL|
Go To: Top, Gas phase ion energetics data, Notes
Stanton, Garand, et al., 2012
Stanton, J.F.; Garand, E.; Kim, J.; Yacovitch, T.I.; Hock, C.; Case, A.S.; Miller, E.M.; Lu, Y.J.; Vogelhuber, K.M.; Wren, S.W.; Ichino, T.; Maier, J.P.; McMahon, R.J.; Osborn, D.L.; Neumark, D.M.; Li, Ground and low-lying excited states of propadienylidene (H2C=C=C:) obtained by negative ion photoelectron spectroscopy, J. Chem. Phys., 2012, 136, 13, 134312, https://doi.org/10.1063/1.3696896 . [all data]
Robinson, Polak, et al., 1995
Robinson, M.S.; Polak, M.L.; Bierbaum, V.M.; DePuy, C.H.; Lineberger, W.C., Experimental Studies of Allene, Methylacetylene, and the Propargyl Radical: Bond Dissociation Energies, Gas-Phase Acidities, and Ion-Molecule Chemistry, J. Am. Chem. Soc., 1995, 117, 25, 6766, https://doi.org/10.1021/ja00130a017 . [all data]
Oakes and Ellison, 1986
Oakes, J.M.; Ellison, G.B., Photoelectron spectroscopy of radical anions, Tetrahedron, 1986, 42, 6263. [all data]
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]
Clauberg, Minsek, et al., 1992
Clauberg, H.; Minsek, D.W.; Chen, P., Mass and photoelectron spectroscopy of C3H2. «DELTA»Hf of singlet carbenes deviate from additivity by their singlet-triplet gaps, J. Am. Chem. Soc., 1992, 114, 99. [all data]
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
EA Electron affinity
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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