Propadienylidene

• Formula: C₃H₂
• Molecular weight: 38.0480
• IUPAC Standard InChI: InChI=1S/C3H2/c1-3-2/h1H2 Copy

  
• IUPAC Standard InChIKey: LPUFMQSFYARLPQ-UHFFFAOYSA-N Copy
• 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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• Information on this page:
  • Gas phase ion energetics data
  • Vibrational and/or electronic energy levels
  • References
  • Notes
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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

Ionization energy determinations

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:   C

State:   c

State:   B

State:   A

State:   b

State:   a

State:   X

Additional references: Jacox, 1994, page 248; Jacox, 1998, page 277; Jacox, 2003, page 262; Vrtilek, Gottlieb, et al., 1990; Gottlieb, Killian, et al., 1993; Lovas, Suenram, et al., 1992; Seburg and McMahon, 1995; Noller, Margraf, et al., 2009

Notes

References

Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, NIST Subscription Links, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

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. ΔH_f of singlet carbenes deviate from additivity by their singlet-triplet gaps, J. Am. Chem. Soc., 1992, 114, 99. [all data]

Hodges, McMahon, et al., 2000
Hodges, J.A.; McMahon, R.J.; Sattelmeyer, K.W.; Stanton, J.F., Electronic Spectrum of Propadienylidene (H, Astrophys. J., 2000, 544, 2, 838, https://doi.org/10.1086/317251 . [all data]

Stanton, DePinto, et al., 1997
Stanton, J.F.; DePinto, J.T.; Seburg, R.A.; Hodges, J.A.; McMahon, R.J., Electronic Spectrum of Propadienylidene (H, J. Am. Chem. Soc., 1997, 119, 2, 429, https://doi.org/10.1021/ja961900b . [all data]

Maier, Walker, et al., 2011
Maier, J.P.; Walker, G.A.H.; Bohlender, D.A.; Mazzotti, F.J.; Raghunandan, R.; Fulara, J.; Garkusha, I.; Nagy, A., IDENTIFICATION OF H, Astrophys. J., 2011, 726, 1, 41, https://doi.org/10.1088/0004-637X/726/1/41 . [all data]

Birza, Chirokolava, et al., 2005
Birza, P.; Chirokolava, A.; Araki, M.; Kolek, P.; Maier, J.P., Rotationally resolved electronic spectrum of propadienylidene, J. Mol. Spectrosc., 2005, 229, 2, 276, https://doi.org/10.1016/j.jms.2004.10.001 . [all data]

Achkasova, Araki, et al., 2006
Achkasova, F.; Araki, M.; Denisov, A.; Maier, J.P., Gas phase electronic spectrum of propadienylidene C3H2, J. Mol. Spectrosc., 2006, 237, 1, 70, https://doi.org/10.1016/j.jms.2006.02.013 . [all data]

Maier, Reisenauer, et al., 1987
Maier, G.; Reisenauer, H.P.; Schwab, W.; Carsky, P.; Hess, B.A., Jr.; Schaad, L.J., Vinylidene carbene: a new C3H2 species, J. Am. Chem. Soc., 1987, 109, 17, 5183, https://doi.org/10.1021/ja00251a023 . [all data]

Huang and Graham, 1990
Huang, J.W.; Graham, W.R.M., Fourier transform infrared study of tricarbon hydride radicals trapped in Ar at 10 K, J. Chem. Phys., 1990, 93, 3, 1583, https://doi.org/10.1063/1.459137 . [all data]

Seburg, Pattersosn, et al., 1997
Seburg, R.A.; Pattersosn, E.V.; Stanton, J.F.; McMahon, R.J., Structures, Automerizations, and Isomerizations of C, J. Am. Chem. Soc., 1997, 119, 25, 5847, https://doi.org/10.1021/ja9638869 . [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]

Jacox, 2003
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules: supplement B, J. Phys. Chem. Ref. Data, 2003, 32, 1, 1-441, https://doi.org/10.1063/1.1497629 . [all data]

Vrtilek, Gottlieb, et al., 1990
Vrtilek, J.M.; Gottlieb, C.A.; Gottlieb, E.W.; Killian, T.C.; Thaddeus, P., Laboratory detection of propadienylidene, H2CCC, Astrophys. J., 1990, 364, L53, https://doi.org/10.1086/185873 . [all data]

Gottlieb, Killian, et al., 1993
Gottlieb, C.A.; Killian, T.C.; Thaddeus, P.; Botschwina, P.; Flugge, J.; Oswald, M., Structure of propadienylidene, H2CCC, J. Chem. Phys., 1993, 98, 6, 4478, https://doi.org/10.1063/1.465007 . [all data]

Lovas, Suenram, et al., 1992
Lovas, F.J.; Suenram, R.D.; Ogata, T.; Yamamoto, S., Microwave spectra and electric dipole moments for low-J levels of interstellar radicals: SO, C2S, C3S, c-HC3, CH2CC, and c-C3H2, Astrophys. J., 1992, 399, 325, https://doi.org/10.1086/171928 . [all data]

Seburg and McMahon, 1995
Seburg, R.A.; McMahon, R.J., Auto- und Isomerisierungen im System Propinyliden (HCCCH), Propadienyliden (H2CCC) und Cyclopropenyliden (c-C3H2), Angew. Chem., 1995, 107, 18, 2198, https://doi.org/10.1002/ange.19951071826 . [all data]

Noller, Margraf, et al., 2009
Noller, B.; Margraf, M.; Schroter, C.; Schultz, T.; Fischer, I., Excited-state lifetime of propadienylidene, l-C3H2, Phys. Chem. Chem. Phys., 2009, 11, 26, 5353, https://doi.org/10.1039/b901765h . [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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