Propadienylidene
- Formula: C3H2
- Molecular weight: 38.0480
- IUPAC Standard InChIKey: LPUFMQSFYARLPQ-UHFFFAOYSA-N
- CAS Registry Number: 60731-10-4
- Chemical structure:
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Vibrational and/or electronic energy levels
Go To: Top, References, Notes
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 | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
To = 39063 | Ne | C-X | 212 | 256 | Hodges, McMahon, et al., 2000 | ||
To = 38650 ± 160 | Ar | C-X | 213 | 259 | Stanton, DePinto, et al., 1997 | ||
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
a1 | C3 s-stretch | 1000 | T | Ne | AB | Hodges, McMahon, et al., 2000 | |
C3 s-stretch | 900 | T | Ar | AB | Stanton, DePinto, et al., 1997 | ||
State: c
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
To = 20943 ± 11 | gas | Stanton, Garand, et al., 2012 | |||||
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
a1 | 4 | 960 ± 50 | gas | PE | Stanton, Garand, et al., 2012 | ||
State: B
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
gas | B-X | 442 | 546 | Maier, Walker, et al., 2011 | |||
To = 16426 | Ne | B-X | 403 | 609 | Hodges, McMahon, et al., 2000 | ||
Maier, Walker, et al., 2011 | |||||||
Stanton, Garand, et al., 2012 | |||||||
To = 18720 ± 80 | U | Ar | B-X | 382 | 535 | Stanton, DePinto, et al., 1997 | |
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
a1 | 2 | C3 a-stretch | 2120 | Ne | AB | Hodges, McMahon, et al., 2000 | |
985 | Ne | AB | Hodges, McMahon, et al., 2000 | ||||
1000 | T | Ar | AB | Stanton, DePinto, et al., 1997 | |||
State: A
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
To = 13677 ± 11 | gas | A-X | 616 | 633 | Birza, Chirokolava, et al., 2005 | ||
Achkasova, Araki, et al., 2006 | |||||||
Maier, Walker, et al., 2011 | |||||||
Stanton, Garand, et al., 2012 | |||||||
To = 13975 | U | Ne | A-X | 612 | 716 | Hodges, McMahon, et al., 2000 | |
Maier, Walker, et al., 2011 | |||||||
To = 13960 | U | Ar | Stanton, DePinto, et al., 1997 | ||||
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
a1 | 2 | 1557 ± 90 | gas | PE | Stanton, Garand, et al., 2012 | ||
State: b
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
To = 11950 ± 30 | gas | Stanton, Garand, et al., 2012 | |||||
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
b2 | 9 | 153 | H | gas | PE | Stanton, Garand, et al., 2012 | |
State: a
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
To = 10354 ± 11 | gas | Robinson, Polak, et al., 1995 | |||||
Stanton, Garand, et al., 2012 | |||||||
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
a1 | 4 | 1084 ± 11 | gas | PE | Stanton, Garand, et al., 2012 | ||
b2 | 9 | 157 | H | gas | PE | Stanton, Garand, et al., 2012 | |
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
H | (1/2)(2ν) |
U | Upper bound |
T | Tentative assignment or approximate value |
o | Energy separation between the v = 0 levels of the excited and electronic ground states. |
References
Go To: Top, Vibrational and/or electronic energy levels, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
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]
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]
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]
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
Go To: Top, Vibrational and/or electronic energy levels, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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