CD2CDCD2

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:   8s
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 63340 ± 5 gas Liang, Chen, et al., 2002
Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
a1 7 C3 bend 362 ± 5 gas MPI Liang, Chen, et al., 2002

State:   7s
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 62567 ± 5 gas Liang, Chen, et al., 2002
Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
a1 7 C3 bend 359 ± 5 gas MPI Liang, Chen, et al., 2002

State:   6s
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 61284 ± 5 gas Liang, Chen, et al., 2002
Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
a1 7 C3 bend 363 ± 5 gas MPI Liang, Chen, et al., 2002

State:   5s
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 58926 ± 5 gas Liang, Chen, et al., 2002
Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
a1 7 C3 bend 357 ± 5 gas MPI Liang, Chen, et al., 2002

State:   4s
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 53661 ± 5 gas Liang, Chen, et al., 2002
Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
a1 5 1047 ± 5 gas MPI Liang, Chen, et al., 2002
6 848 ± 5 gas MPI Liang, Chen, et al., 2002
7 C3 bend 356 ± 5 gas MPI Liang, Chen, et al., 2002

State:   D
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 41532.1 ± 0.5 gas Blush, Minsek, et al., 1992

State:   C
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 40286.7 ± 0.5 gas Blush, Minsek, et al., 1992
Minsek and Chen, 1993
Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
a1 7 C3 bend 321 ± 2 gas MPI Minsek and Chen, 1993

State:   B
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 40096 ± 2 gas Hudgens and Dulcey, 1985
Blush, Minsek, et al., 1992
Minsek and Chen, 1993
Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
a1 7 C3 bend 316 ± 2 gas MPI Hudgens and Dulcey, 1985
Minsek and Chen, 1993
a2 9 CD2 a-twist 429 ± 2 gas MPI Minsek and Chen, 1993

State:   A
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 24550.32 gas A-X 360 405 Currie and Ramsay, 1966
Achkasova, Araki, et al., 2005
Kim, Araki, et al., 2006
Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
a 1155 gas AB Currie and Ramsay, 1966
981 gas AB Currie and Ramsay, 1966
823 gas AB Currie and Ramsay, 1966
7 Deformation 252 gas CR Achkasova, Araki, et al., 2005
9 CD2 a-twist 76 gas CR Achkasova, Araki, et al., 2005

State:   X

Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
a1 2 CD stretch 2285 w Ar IR Mal'tsev, Korolev, et al., 1984
Nandi, Arnold, et al., 2001
3 CD stretch 2215 w Ar IR Mal'tsev, Korolev, et al., 1984
4 CD2 scissors 1272 ± 8 gas Ra Liu, Getty, et al., 1993
4 CD2 scissors 1263 Ar IR Mal'tsev, Korolev, et al., 1984
Nandi, Arnold, et al., 2001
5 Mixed 1020 ± 8 gas Ra Liu, Getty, et al., 1993
5 Mixed 1018 w Ar IR Mal'tsev, Korolev, et al., 1984
Nandi, Arnold, et al., 2001
6 Mixed 835 ± 20 gas MPI PE Hudgens and Dulcey, 1985
Wenthold, Polak, et al., 1996
6 Mixed 844 w Ar IR Nandi, Arnold, et al., 2001
7 C3 deform. 350 ± 8 gas MPI Ra Hudgens and Dulcey, 1985
Liu, Getty, et al., 1993
Minsek and Chen, 1993
Wenthold, Polak, et al., 1996
a2 9 CD2 torsion 372 H gas Ra Liu, Getty, et al., 1993
b1 10 OPLA 762 H gas Ra Liu, Getty, et al., 1993
10 OPLA 767 w Ar IR Nandi, Arnold, et al., 2001
11 Deform. 678 ± 10 H gas PE Wenthold, Polak, et al., 1996
11 Deform. 646.5 vs Ar IR Mal'tsev, Korolev, et al., 1984
Huang and Graham, 1990
Nandi, Arnold, et al., 2001
12 Deform. 403 ± 8 gas Ra MPI Liu, Getty, et al., 1993
Minsek and Chen, 1993
b2 14 CD2 stretch 2209 Ar IR Mal'tsev, Korolev, et al., 1984
Nandi, Arnold, et al., 2001
15 CD2 scissors 1387 w m Ar IR Nandi, Arnold, et al., 2001
16 Mixed 1062 w Ar IR Mal'tsev, Korolev, et al., 1984
Nandi, Arnold, et al., 2001
17 Mixed 900 w Ar IR Nandi, Arnold, et al., 2001

Notes

wWeak
mMedium
vsVery strong
H(1/2)(2ν)
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.

Liang, Chen, et al., 2002
Liang, C.-W.; Chen, C.-C.; Wei, C.-Y.; Chen, Y.-T., Two-photon resonant ionization spectroscopy of the allyl-h[sub 5] and allyl-d[sub 5] radicals: Rydberg states and ionization energies, J. Chem. Phys., 2002, 116, 10, 4162, https://doi.org/10.1063/1.1450553 . [all data]

Blush, Minsek, et al., 1992
Blush, J.A.; Minsek, D.W.; Chen, P., Electronic spectrum of allyl and allyl-d5 radicals: the B[12A1] .rarw. X[12A2], C[22B1] .rarw. X[12A2], and D[12B2] .rarw. X[12A2] band systems, J. Phys. Chem., 1992, 96, 25, 10150, https://doi.org/10.1021/j100204a013 . [all data]

Minsek and Chen, 1993
Minsek, D.W.; Chen, P., The 1 + 1 and 2 + 2 resonant multiphoton ionization of allyl and allyl-dn (C3H5, C3H4D, C3HD4, and C3D5) radicals, J. Phys. Chem., 1993, 97, 50, 13375, https://doi.org/10.1021/j100152a050 . [all data]

Hudgens and Dulcey, 1985
Hudgens, J.W.; Dulcey, C.S., Observation of the 3s 2A1 Rydberg states of allyl and 2-methylallyl radicals with multiphoton ionization spectroscopy, J. Phys. Chem., 1985, 89, 8, 1505, https://doi.org/10.1021/j100254a039 . [all data]

Currie and Ramsay, 1966
Currie, C.L.; Ramsay, D.A., Electronic Absorption Spectrum and Dissociation Energy of the Allyl Radical, J. Chem. Phys., 1966, 45, 2, 488, https://doi.org/10.1063/1.1727594 . [all data]

Achkasova, Araki, et al., 2005
Achkasova, E.; Araki, M.; Denisov, A.; Maier, J.P., Rotational analysis of the electronic spectrum of the allyl radical, Mol. Phys., 2005, 103, 11-12, 1555, https://doi.org/10.1080/00268970500044830 . [all data]

Kim, Araki, et al., 2006
Kim, E.; Araki, M.; Chauhan, R.; Birza, P.; Maier, J.P., Electronic spectrum of the hydrocarbon cation, Mol. Phys.104, 2006, 104, 18, 2885, https://doi.org/10.1080/00268970600866694 . [all data]

Mal'tsev, Korolev, et al., 1984
Mal'tsev, A.K.; Korolev, V.A.; Nefedov, O.M., Izv. Akad. Naul SSSR, 1984, Ser. Khim., 555. [all data]

Nandi, Arnold, et al., 2001
Nandi, S.; Arnold, P.A.; Carpenter, B.K.; Nimlos, M.R.; Dayton, D.C.; Ellison, G.B., Polarized Infrared Absorption Spectra of Matrix-Isolated Allyl Radicals, J. Phys. Chem. A, 2001, 105, 32, 7514, https://doi.org/10.1021/jp011163s . [all data]

Liu, Getty, et al., 1993
Liu, X.; Getty, J.D.; Kelly, P.B., Resonance Raman spectrum of the allyl-d5 radical and the force field analysis of the allyl radical, J. Chem. Phys., 1993, 99, 3, 1522, https://doi.org/10.1063/1.465320 . [all data]

Wenthold, Polak, et al., 1996
Wenthold, P.G.; Polak, M.L.; Lineberger, W.C., Photoelectron Spectroscopy of the Allyl and 2-Methylallyl Anions, J. Phys. Chem., 1996, 100, 17, 6920, https://doi.org/10.1021/jp953401n . [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]

Notes

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