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:
- Propynylidene
Other names: 2-Propynylidene
Information on this page:
Other data available:
- Gas phase ion energetics data
Data at other public NIST sites:
- Microwave spectra (on physics lab web site)
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Vibrational and/or electronic energy levels

Go To: Top, References, Notes

Data compiled by: Marilyn E. Jacox

State: C

Energy (cm^-1)	Med.	Transition	λ_min (nm)	λ_max (nm)	References


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

State: B

Energy (cm^-1)	Med.	Transition	λ_min (nm)	λ_max (nm)	References


T_o = 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	λ_min (nm)	λ_max (nm)	References


T_o = 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.	References


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

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


Σ⁺	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
Π	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

Weak

Medium

Strong

Energy separation between the v = 0 levels of the excited and electronic ground states.

Broad

References

Go To: Top, Vibrational and/or electronic energy levels, Notes

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]

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]

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

Go To: Top, Vibrational and/or electronic energy levels, References

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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