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CH2NO2

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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:   ?


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

Td gas 240 270 Cyr, Leahy, et al., 1993

State:   ?


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

Td = 34500 Ar Jacox, 1983

State:   2A2


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

To = 12840 ± 80 gas Metz, Cyr, et al., 1991


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

a1 3 NO2 s-stretch 1444 ± 25 gas PE Metz, Cyr, et al., 1991
4 CN stretch ? 936 ± 25 gas PE Metz, Cyr, et al., 1991
5 NO2 scissors 605 ± 25 gas PE Metz, Cyr, et al., 1991

State:   X


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

a1 1 CH2 s-stretch 3055 w H Ar IR Jacox, 1983
Jacox, 1987
2 CH2 scissors 1419 w m H Ar IR Jacox, 1983
Jacox, 1987
3 NO2 s-stretch 1300 ± 25 gas PE Metz, Cyr, et al., 1991
3 NO2 s-stretch 1297 s H Ar IR Jacox, 1983
Jacox, 1987
4 CN stretch 954 ± 25 gas PE Metz, Cyr, et al., 1991
4 CN stretch 986 w m H Ar IR Jacox, 1983
Jacox, 1987
5 NO2 scissors 693 m H Ar IR Jacox, 1983
Jacox, 1987
a2 6 Torsion 205 H gas PE Metz, Cyr, et al., 1991
b1 7 CNO2 OPLA 719 s H Ar IR Jacox, 1983
Jacox, 1987
8 H2CN OPLA 606 s H Ar IR Jacox, 1983
Jacox, 1987
b2 9 CH2 a-stretch 3200 w m H Ar IR Jacox, 1983
Jacox, 1987
10 NO2 a-stretch 1484 vs H Ar IR Jacox, 1983
Jacox, 1987
10 NO2 a-stretch 1461 vs H Ar IR Jacox, 1983
Jacox, 1987
11 CH2 rock 1095 s H Ar IR Jacox, 1983
Jacox, 1987
12 NO2 rock 484 T Ar IR Jacox, 1983
Jacox, 1987

Additional references: Jacox, 1994, page 331; Jacox, 1998, page 316

Notes

wWeak
mMedium
sStrong
vsVery strong
H(1/2)(2nu)
TTentative assignment or approximate value
oEnergy separation between the v = 0 levels of the excited and electronic ground states.
dPhotodissociation threshold

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.

Cyr, Leahy, et al., 1993
Cyr, D.R.; Leahy, D.J.; Osborn, D.L.; Continetti, R.E.; Neumark, D.M., Fast beam photodissociation of the CH2NO2 radical, J. Chem. Phys., 1993, 99, 11, 8751, https://doi.org/10.1063/1.465597 . [all data]

Jacox, 1983
Jacox, M.E., Reaction of fluorine atoms with nitromethane. Vibrational spectra of the addition complex and of the nitromethyl free radical, J. Phys. Chem., 1983, 87, 16, 3126, https://doi.org/10.1021/j100239a034 . [all data]

Metz, Cyr, et al., 1991
Metz, R.B.; Cyr, D.R.; Neumark, D.M., Study of the 2B1 and 2A2 States of CH2NO2 via Ultraviolet Photoelectron Spectroscopy of the CH2NO2- Anion, J. Phys. Chem., 1991, 95, 7, 2900, https://doi.org/10.1021/j100160a047 . [all data]

Jacox, 1987
Jacox, M.E., Analysis of the vibrational spectrum of the nitromethyl free radical, J. Phys. Chem., 1987, 91, 19, 5038, https://doi.org/10.1021/j100303a030 . [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]


Notes

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