cyc-C3H3+

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:   X

Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
e' 4 CH stretch 3130 gas PF Roth and Dopfer, 2002
a1 4 CH stretch 3136 A gas PF Roth and Dopfer, 2002
Botschwina, Oswald, et al., 2011
4 CH stretch 3094 gas PF Dopfer, Roth, et al., 2002
Roth and Dopfer, 2002
b2 4 CH stretch 3128.75 gas PF Dopfer, Roth, et al., 2002
Roth and Dopfer, 2002
e' 4 CH stretch 3130 Ne IR Wyss, Riaplov, et al., 2001
5 C3 a-stretch 1293 A gas PF Ricks, Douberly, et al., 2010

Additional references: Jacox, 2003, page 313

Notes

A0~1 cm-1 uncertainty

References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Roth and Dopfer, 2002
Roth, D.; Dopfer, O., Site-specific interaction between hydrocarbon cations and inert ligands: IR spectra of isomeric C3H3+???L dimers (L???=???Ne,Ar,O2,N2,CO2), Phys. Chem. Chem. Phys., 2002, 4, 20, 4855, https://doi.org/10.1039/b206170h . [all data]

Botschwina, Oswald, et al., 2011
Botschwina, P.; Oswald, R.; Rauhut, G., Explicitly correlated coupled cluster calculations for the propargyl cation (H2C3H+) and related species, Phys. Chem. Chem. Phys., 2011, 13, 17, 7921, https://doi.org/10.1039/c1cp20206e . [all data]

Dopfer, Roth, et al., 2002
Dopfer, O.; Roth, D.; Maier, J.P., Infrared Spectra of C, J. Am. Chem. Soc., 2002, 124, 3, 494, https://doi.org/10.1021/ja012004p . [all data]

Wyss, Riaplov, et al., 2001
Wyss, M.; Riaplov, E.; Maier, J.P., Electronic and infrared spectra of H[sub 2]C[sub 3]H[sup +] and cyclic C[sub 3]H[sub 3][sup +] in neon matrices, J. Chem. Phys., 2001, 114, 23, 10355, https://doi.org/10.1063/1.1367394 . [all data]

Ricks, Douberly, et al., 2010
Ricks, A.M.; Douberly, G.E.; Schleyer, P. vonR.; Duncan, M.A., Communications: Infrared spectroscopy of gas phase C[sub 3]H[sub 3]+] ions: The cyclopropenyl and propargyl cations, J. Chem. Phys., 2010, 132, 5, 051101, https://doi.org/10.1063/1.3298881 . [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]

Notes

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