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Cyclopropenylidene


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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias

Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman

View reactions leading to C3H2+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
Proton affinity (review)227.3kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity218.9kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Deltaf(+) ion281. ± 3.kcal/molN/AN/A 

Ionization energy determinations

IE (eV) Method Reference Comment
9.15 ± 0.03PIClauberg, Minsek, et al., 1992LL

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   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

To = 36901 gas B-X 264 271 Hemberger, Noller, et al., 2010


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

891 gas PF MPI Hemberger, Noller, et al., 2010
574 gas PF MPI Hemberger, Noller, et al., 2010

State:   ?


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

Td = 27800 T Ar Reisenauer, Maier, et al., 1984
Maier, Reisenauer, et al., 1987
Huang and Graham, 1990

State:   X


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

a1 3 1277.37 gas IR Hirahara, Masuda, et al., 1991
3 1278.6 Ar IR Reisenauer, Maier, et al., 1984
Maier, Reisenauer, et al., 1987
Huang and Graham, 1990
Seburg, Pattersosn, et al., 1997
3 1277.7 Ar IR Reisenauer, Maier, et al., 1984
Maier, Reisenauer, et al., 1987
Huang and Graham, 1990
Seburg, Pattersosn, et al., 1997
4 887.1 T Ar IR Reisenauer, Maier, et al., 1984
Maier, Reisenauer, et al., 1987
Huang and Graham, 1990
Seburg, Pattersosn, et al., 1997
b1 6 776.12 gas IR Varadwaj, Fujimori, et al., 2011
6 787.8 T Ar IR Reisenauer, Maier, et al., 1984
Maier, Reisenauer, et al., 1987
Huang and Graham, 1990
Dateo and Lee, 1997
b2 8 1063.6 T Ar IR Reisenauer, Maier, et al., 1984
Maier, Reisenauer, et al., 1987
Huang and Graham, 1990

Additional references: Jacox, 1994, page 248; Jacox, 2003, page 262; Thaddeus, Vrtilek, et al., 1985; Bogey, Demuynck, et al., 1986; Bogey, Demuynck, et al., 1987; Vrtilek, Gottlieb, et al., 1987; Lovas, Suenram, et al., 1992

Notes

TTentative assignment or approximate value
oEnergy separation between the v = 0 levels of the excited and electronic ground states.
dPhotodissociation threshold

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.

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [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]

Hemberger, Noller, et al., 2010
Hemberger, P.; Noller, B.; Steinbauer, M.; Fischer, I.; Alcaraz, C.; Cunha de Miranda, B.K.; Garcia, G.A.; Soldi-Lose, H., Threshold Photoelectron Spectroscopy of Cyclopropenylidene, Chlorocyclopropenylidene, and Their Deuterated Isotopomeres, J. Phys. Chem. A, 2010, 114, 42, 11269, https://doi.org/10.1021/jp104019d . [all data]

Reisenauer, Maier, et al., 1984
Reisenauer, H.P.; Maier, G.; Riemann, A.; Hoffmann, R.W., Cyclopropenyliden, Angew. Chem., 1984, 96, 8, 596, https://doi.org/10.1002/ange.19840960811 . [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]

Hirahara, Masuda, et al., 1991
Hirahara, Y.; Masuda, A.; Kawaguchi, K., Fourier transform infrared spectroscopy of the «nu»3 band of cyclopropenylidene, C3H2, J. Chem. Phys., 1991, 95, 6, 3975, https://doi.org/10.1063/1.460804 . [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]

Varadwaj, Fujimori, et al., 2011
Varadwaj, P.R.; Fujimori, R.; Kawaguchi, K., High-Resolution Fourier Transform Infrared Absorption Spectroscopy of the «nu», J. Phys. Chem. A, 2011, 115, 30, 8458, https://doi.org/10.1021/jp204068w . [all data]

Dateo and Lee, 1997
Dateo, C.E.; Lee, T.J., An accurate ab initio quartic force field and vibrational frequencies for cyclopropenylidene, Spectrochim. Acta A, 1997, 53, 8, 1065, https://doi.org/10.1016/S1386-1425(96)01871-9 . [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, 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]

Thaddeus, Vrtilek, et al., 1985
Thaddeus, P.; Vrtilek, J.M.; Gottlieb, C.A., Laboratory and astronomical identification of cyclopropenylidene, C3H2, Astrophys. J., 1985, 299, L63, https://doi.org/10.1086/184581 . [all data]

Bogey, Demuynck, et al., 1986
Bogey, M.; Demuynck, C.; Destombes, J.L., Centrifugal distortion analysis of the rotational spectrum of cyclopropenylidene, Chem. Phys. Lett., 1986, 125, 4, 383, https://doi.org/10.1016/0009-2614(86)85177-6 . [all data]

Bogey, Demuynck, et al., 1987
Bogey, M.; Demuynck, C.; Destombes, J.L.; Dubus, H., Molecular structure of cyclopropenylidene, H«58872»«58872»H from the millimeter wave spectra of its isotopomers, J. Mol. Spectrosc., 1987, 122, 2, 313, https://doi.org/10.1016/0022-2852(87)90007-5 . [all data]

Vrtilek, Gottlieb, et al., 1987
Vrtilek, J.M.; Gottlieb, C.A.; Thaddeus, P., Laboratory and astronomical spectroscopy of C3H2, the first interstellar organic ring, Astrophys. J., 1987, 314, 716, https://doi.org/10.1086/165099 . [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]


Notes

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