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Propadienylidene

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


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

a1 1 CH2 s-stretch 3059.6 Ar IR Maier, Reisenauer, et al., 1987
Huang and Graham, 1990
1 CH2 s-stretch 3049.5 Ar IR Maier, Reisenauer, et al., 1987
Huang and Graham, 1990
2 C3 a-stretch 1956 ± 11 gas PE Stanton, Garand, et al., 2012
2 C3 a-stretch 1963.2 Ar IR Maier, Reisenauer, et al., 1987
Huang and Graham, 1990
Seburg, Pattersosn, et al., 1997
2 C3 a-stretch 1952.2 Ar IR Maier, Reisenauer, et al., 1987
Huang and Graham, 1990
Seburg, Pattersosn, et al., 1997
3 CH2 scissors 1449.3 Ar IR Maier, Reisenauer, et al., 1987
Huang and Graham, 1990
Seburg, Pattersosn, et al., 1997
3 CH2 scissors 1446.9 Ar IR Maier, Reisenauer, et al., 1987
Huang and Graham, 1990
Seburg, Pattersosn, et al., 1997
4 C3 s-stretch 1111 ± 11 gas PE Stanton, Garand, et al., 2012
b1 5 H2CC OPLA 995 H gas PE Stanton, Garand, et al., 2012
5 H2CC OPLA 1003.0 Ar IR Maier, Reisenauer, et al., 1987
Huang and Graham, 1990
Seburg, Pattersosn, et al., 1997
5 H2CC OPLA 999.2 Ar IR Maier, Reisenauer, et al., 1987
Huang and Graham, 1990
Seburg, Pattersosn, et al., 1997
6 Deformation 206 H gas PE Stanton, Garand, et al., 2012
b2 8 CH2 rock 1025.0 Ar IR Maier, Reisenauer, et al., 1987

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)(2nu)
UUpper bound
TTentative assignment or approximate value
oEnergy 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