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1-Azetine


Gas phase ion energetics data

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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 as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard

View reactions leading to C3H5N+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference Comment
9.30PEBock and Dammel, 1987LBLHLM
9.30PEDammel, Bock, et al., 1983LBLHLM
9.83PEBock and Dammel, 1987Vertical value; LBLHLM

Vibrational and/or electronic energy levels

Go To: Top, Gas phase ion energetics data, 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:   X


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

a' 1 CH stretch 3015 T gas IR Amatatsu, Hamada, et al., 1987
3 CH2 s-stretch 2870 gas IR Amatatsu, Hamada, et al., 1987
4 C=N stretch 1575 s gas IR Dammel, Bock, et al., 1983
Amatatsu, Hamada, et al., 1987
5 CH2 scissors 1460 gas IR Amatatsu, Hamada, et al., 1987
6 CH2 scissors 1430 T gas IR Dammel, Bock, et al., 1983
Amatatsu, Hamada, et al., 1987
7 CH2 wag 1279 s gas IR Dammel, Bock, et al., 1983
Amatatsu, Hamada, et al., 1987
8 CH bend 1220 gas IR Amatatsu, Hamada, et al., 1987
9 CH2 wag 1208 gas IR Dammel, Bock, et al., 1983
Amatatsu, Hamada, et al., 1987
10 C-N stretch 1020 gas IR Dammel, Bock, et al., 1983
Amatatsu, Hamada, et al., 1987
11 Ring deform. 895 gas IR Amatatsu, Hamada, et al., 1987
12 C-C stretch 888 s gas IR Dammel, Bock, et al., 1983
Amatatsu, Hamada, et al., 1987
13 C-C stretch 866 gas IR Dammel, Bock, et al., 1983
Amatatsu, Hamada, et al., 1987
a 16 CH2 twist 1142 gas IR Amatatsu, Hamada, et al., 1987
17 CH2 twist 1102 s gas IR Dammel, Bock, et al., 1983
Amatatsu, Hamada, et al., 1987
18 CH2 rock 1038 T gas IR Amatatsu, Hamada, et al., 1987
19 CH OPLA 873 gas IR Amatatsu, Hamada, et al., 1987
20 CH2 rock 711 s gas IR Dammel, Bock, et al., 1983
Amatatsu, Hamada, et al., 1987

Additional references: Jacox, 1994, page 409

Notes

sStrong
TTentative assignment or approximate value

References

Go To: Top, Gas phase ion energetics data, 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.

Bock and Dammel, 1987
Bock, H.; Dammel, R., Cycloalkanimine 2H-azirin, 1-azetin, 1-pyrrolin, 1-piperidein, und 3,4,5,6-tetrahydro-2H-azepin: Darstellung und photoelektronen-spektren, Chem. Ber., 1987, 120, 1971. [all data]

Dammel, Bock, et al., 1983
Dammel, R.; Bock, H.; Denis, J.-M., The photoelectron spectrum of 1-azetine, Chem. Phys. Lett., 1983, 102, 239. [all data]

Amatatsu, Hamada, et al., 1987
Amatatsu, Y.; Hamada, Y.; Tsuboi, M., FTIR detection of unstable molecules: Infrared spectrum of 1-azetine, J. Mol. Spectrosc., 1987, 123, 2, 267, https://doi.org/10.1016/0022-2852(87)90277-3 . [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]


Notes

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