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2-Propynylidyne

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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 ± 0.0030N/ASheehan, Parsons, et al., 2008cyclic isomer, singlet anion ground state.; B
1.8440 ± 0.0030N/ASheehan, Parsons, et al., 2008Linear/bent isomer, triplet anion, doublet neutral; B
1.858 ± 0.027LPESOakes and Ellison, 1986From propene discharge; geometry unspecified. Liekly linear/bent form ( Sheehan, Parsons, et al., 2008); B

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C3+17.1 ± 0.5HEIDibeler, Reese, et al., 1961RDSH

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


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

To = 23171 gas C-X 424 432 Ding, Pino, et al., 2001

State:   B


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

To = 20538 gas B-X 454 487 Ding, Pino, et al., 2001


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

a' 4 CCH bend 783.5 gas MPI Ding, Pino, et al., 2001
5 C3 bend 493 gas MPI Ding, Pino, et al., 2001

State:   A


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

To = 19187 gas A-X 445 521 Ding, Pino, et al., 2001
Sheehan, Parsons, et al., 2008


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

a' 1 CH stretch 2800 gas MPI Ding, Pino, et al., 2001
2 1836 gas MPI Ding, Pino, et al., 2001
3 1091 gas MPI Ding, Pino, et al., 2001
4 CCH bend 881.3 gas MPI Ding, Pino, et al., 2001
5 C3 bend 460 gas MPI Ding, Pino, et al., 2001

State:   a


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

To = 10700 ± 145 gas Sheehan, Parsons, et al., 2008


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

411 ± 40 gas PE Sheehan, Parsons, et al., 2008
250 ± 40 gas PE Sheehan, Parsons, et al., 2008

State:   X


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

Sigma+ 1 CH stretch 3238.0 w Ar IR Huang and Graham, 1990
Jiang, Rittby, et al., 1993
2 C3 a-stretch 1839 ± 10 gas TPE Sheehan, Parsons, et al., 2008
2 C3 a-stretch 1827.5 Ne IR Wu, Chen, et al., 2009
2 C3 a-stretch 1832.6 m Ar IR Jacox and Milligan, 1974
Huang and Graham, 1990
Jiang, Rittby, et al., 1993
2 C3 a-stretch 1824.7 s Ar IR Jacox and Milligan, 1974
Huang and Graham, 1990
Jiang, Rittby, et al., 1993
3 C3 s-stretch 1167 b Ar IR Huang and Graham, 1990
Jiang, Rittby, et al., 1993
3 C3 s-stretch 1159.8 w Ar IR Huang and Graham, 1990
Jiang, Rittby, et al., 1993
Pi 4 CCH bend 210 ± 10 gas TPE Sheehan, Parsons, et al., 2008
4 CCH bend 20.35 S gas MW Yamamoto, Saito, et al., 1990
Caris, Giesen, et al., 2009
5 C3 bend 376 ± 10 gas TPE Sheehan, Parsons, et al., 2008

Additional references: Jacox, 1994, page 156; Jacox, 1998, page 233; Jacox, 2003, page 183; Gottlieb, Vrtilek, et al., 1985; Gottlieb, Gottlieb, et al., 1986; Kanada, Yamamoto, et al., 1996; McCarthy and Thaddeus, 2005; Kim and Yamamoto, 2005

Notes

wWeak
mMedium
sStrong
oEnergy separation between the v = 0 levels of the excited and electronic ground states.
bBroad

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.

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]

Ding, Pino, et al., 2001
Ding, H.; Pino, T.; Guthe, F.; Maier, J.P., Gas phase electronic spectrum of C[sub 3]H in the visible, J. Chem. Phys., 2001, 115, 15, 6913, https://doi.org/10.1063/1.1404391 . [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]

Jiang, Rittby, et al., 1993
Jiang, Q.; Rittby, C.M.L.; Graham, W.R.M., Vibrational spectrum of linear C3H in solid argon, J. Chem. Phys., 1993, 99, 5, 3194, https://doi.org/10.1063/1.465179 . [all data]

Wu, Chen, et al., 2009
Wu, Y.-J.; Chen, H.-F.; Camacho, C.; Sitek, H.A.; Hsu, S.-C.; Lin, M.-Y.; Chou, S.-L.; Ogilvie, J.F.; Cheng, B.-M., FORMATION AND IDENTIFICATION OF INTERSTELLAR MOLECULE LINEAR C, Astrophys. J., 2009, 701, 1, 8, https://doi.org/10.1088/0004-637X/701/1/8 . [all data]

Jacox and Milligan, 1974
Jacox, M.E.; Milligan, D.E., Matrix isolation study of the vacuum ultraviolet photolysis of allene and methylacetylene. Vibrational and electronic spectra of the species C3, C3H, C3H2, and C3H3, Chem. Phys., 1974, 4, 1, 45, https://doi.org/10.1016/0301-0104(74)80047-9 . [all data]

Yamamoto, Saito, et al., 1990
Yamamoto, S.; Saito, S.; Suzuki, H.; Deguchi, S.; Kaifu, N.; Ishikawa, S.-I.; Ohishi, M., Laboratory microwave spectroscopy of the linear C3H and C3D radicals and related astronomical observation, Astrophys. J., 1990, 348, 363, https://doi.org/10.1086/168244 . [all data]

Caris, Giesen, et al., 2009
Caris, M.; Giesen, T.F.; Duan, C.; Muller, H.S.P.; Schlemmer, S.; Yamada, K.M.T., Sub-millimeter wave spectroscopy of the C3H radical: Ro-vibrational transitions from ground to the lowest bending state, J. Mol. Spectrosc., 2009, 253, 2, 99, https://doi.org/10.1016/j.jms.2008.10.006 . [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]

Gottlieb, Vrtilek, et al., 1985
Gottlieb, C.A.; Vrtilek, J.M.; Gottlieb, E.W.; Thaddeus, P.; Hjalmarson, A., Laboratory detection of the C3H radical, Astrophys. J., 1985, 294, L55, https://doi.org/10.1086/184508 . [all data]

Gottlieb, Gottlieb, et al., 1986
Gottlieb, C.A.; Gottlieb, E.W.; Thaddeus, P.; Vrtilek, J.M., The rotational spectrum of the C3H radical, Astrophys. J., 1986, 303, 446, https://doi.org/10.1086/164089 . [all data]

Kanada, Yamamoto, et al., 1996
Kanada, M.; Yamamoto, S.; Saito, S.; Osamura, Y., Molecular structure of the linear C3H radical: Microwave spectrum of the 13C substituted species, J. Chem. Phys., 1996, 104, 6, 2192, https://doi.org/10.1063/1.471811 . [all data]

McCarthy and Thaddeus, 2005
McCarthy, M.C.; Thaddeus, P., Rotational spectrum and carbon-13 hyperfine structure of the C[sub 3]H, C[sub 5]H, C[sub 6]H, and C[sub 7]H radicals, J. Chem. Phys., 2005, 122, 17, 174308, https://doi.org/10.1063/1.1867356 . [all data]

Kim and Yamamoto, 2005
Kim, E.; Yamamoto, S., Rotational spectra of the deuterated carbon chain molecules: C3D, C4D, C3HD, and C4HD, J. Mol. Spectrosc., 2005, 233, 1, 93, https://doi.org/10.1016/j.jms.2005.05.010 . [all data]


Notes

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