Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

Nitrate Radical

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


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:   B


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

To = 15089 gas B-X 450 795 Jones and Wulf, 1937
Ramsay, Spectroscopicum Internationale, et al., 1963
Johnston and Graham, 1974
Graham and Johnston, 1978
Mitchell, Wayne, et al., 1980
Marinelli, Swanson, et al., 1982
Nelson, Pasternack, et al., 1983
Ishiwata, Fujiwara, et al., 1983
Kim, Hunter, et al., 1992
Orlando, Tyndall, et al., 1993
Mikhaylichenko, Riehn, et al., 1996
Valachovic, Riehn, et al., 1996


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

a1' 1 Sym. stretch 930 gas AB Ramsay, Spectroscopicum Internationale, et al., 1963
Mitchell, Wayne, et al., 1980
1 Sym. stretch 1450 gas AB Mitchell, Wayne, et al., 1980
1 Sym. stretch 850 gas AB Mitchell, Wayne, et al., 1980

State:   A


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

To = 7062.25 ± 0.50 gas A-X 1100 1700 Weaver, Arnold, et al., 1991
Hirota, Ishiwata, et al., 1997
Kawaguchi, Ishiwata, et al., 1998
Deev, 2005
Takematsu, Eddingsaas, et al., 2013


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

a1' 1 Sym. stretch 785 ± 2 gas PE CR Weaver, Arnold, et al., 1991
Wang, Yang, et al., 2002
Deev, 2005
Takematsu, Eddingsaas, et al., 2013
1 Sym. stretch 783.1 Ne AB Jacox and Thompson, 2010
a2 2 OPLA 678.7 ± 0.6 gas IR CR Kawaguchi, Ishiwata, et al., 1998
Deev, 2005
Takematsu, Eddingsaas, et al., 2013
2 OPLA 681 Ne AB Jacox and Thompson, 2010
e' 4 Deformation 540.6 ± 0.6 gas PE CR Weaver, Arnold, et al., 1991
Deev, 2005
Takematsu, Eddingsaas, et al., 2013
4 Deformation 543 T Ne AB Jacox and Thompson, 2010

State:   X


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

a1' 1 Sym. stretch 1050 gas LF PE Nelson, Pasternack, et al., 1983
Ishiwata, Fujiwara, et al., 1983
Weaver, Arnold, et al., 1991
Kim, Hunter, et al., 1992
Wang, Yang, et al., 2002
a2 2 OPLA 762.34 gas IR Friedl and Sander, 1987
Kim, Hunter, et al., 1992
Stanton, 2007
Fujimori, Shimizu, et al., 2013
2 OPLA 763.1 Ne IR Jacox and Thompson, 2008
e' 3 NO stretch 1127 T gas IR PE Weaver, Arnold, et al., 1991
Stanton, 2007
Stanton, 2009
Kawaguchi, Shimizu, et al., 2011
Simmons, Ichino, et al., 2012
3 NO stretch 1127 T Ne IR Jacox and Thompson, 2008
Beckers, Willner, et al., 2009
4 Deformation 365.48 gas LF PE Nelson, Pasternack, et al., 1983
Ishiwata, Fujiwara, et al., 1983
Weaver, Arnold, et al., 1991
Kim, Hunter, et al., 1992
Wang, Yang, et al., 2002
4 Deformation 365.48 gas IR Kawaguchi, Shimizu, et al., 2011
Fujimori, Shimizu, et al., 2013
4 Deformation 365.6 Ne IR Beckers, Willner, et al., 2009

Additional references: Jacox, 1994, page 207; Jacox, 1998, page 257; Jacox, 2003, page 237; Dixon, Duxbury, et al., 1967; Nelson, Pasternack, et al., 1983, 2; Ishiwata, Tanaka, et al., 1985; Kawaguchi, Hirota, et al., 1990; Kawaguchi, Ishiwata, et al., 1991; Hirota, Kawaguchi, et al., 1991; Ishiwata, Tanaka, et al., 1992

Notes

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.

Jones and Wulf, 1937
Jones, E.J.; Wulf, O.R., The Absorption Coefficient of Nitrogen Pentoxide in the Ultraviolet and the Visible Absorption Spectrum of NO3, J. Chem. Phys., 1937, 5, 11, 873, https://doi.org/10.1063/1.1749956 . [all data]

Ramsay, Spectroscopicum Internationale, et al., 1963
Ramsay, D.A.; Spectroscopicum Internationale, Proc. XthColloq.; Lippincott, E.R.; Margoshes, M., Eds., Spartan Books, Washington, DC, 1963. [all data]

Johnston and Graham, 1974
Johnston, H.S.; Graham, R.A., Photochemistry of NO, Can. J. Chem., 1974, 52, 8, 1415, https://doi.org/10.1139/v74-214 . [all data]

Graham and Johnston, 1978
Graham, R.A.; Johnston, H.S., The photochemistry of the nitrate radical and the kinetics of the nitrogen pentoxide-ozone system, J. Phys. Chem., 1978, 82, 3, 254, https://doi.org/10.1021/j100492a002 . [all data]

Mitchell, Wayne, et al., 1980
Mitchell, D.N.; Wayne, R.P.; Allen, P.J.; Harrison, R.P.; Twin, R.J., J. Chem. Soc., 1980, Faraday Trans. 2 76, 785. [all data]

Marinelli, Swanson, et al., 1982
Marinelli, W.F.; Swanson, D.M.; Johnston, H.S., Absorption cross sections and line shape for the NO3(0--0) band, J. Chem. Phys., 1982, 76, 6, 2864, https://doi.org/10.1063/1.443366 . [all data]

Nelson, Pasternack, et al., 1983
Nelson, H.H.; Pasternack, L.; McDonald, J.R., Laser-induced excitation and emission spectra of nitrate radical (NO3), J. Phys. Chem., 1983, 87, 8, 1286, https://doi.org/10.1021/j100231a003 . [all data]

Ishiwata, Fujiwara, et al., 1983
Ishiwata, T.; Fujiwara, I.; Naruge, Y.; Obi, K.; Tanaka, I., Study of nitrate radical by laser-induced fluorescence, J. Phys. Chem., 1983, 87, 8, 1349, https://doi.org/10.1021/j100231a016 . [all data]

Kim, Hunter, et al., 1992
Kim, B.; Hunter, P.L.; Johnston, H.S., NO3 radical studied by laser-induced fluorescence, J. Chem. Phys., 1992, 96, 6, 4057, https://doi.org/10.1063/1.461861 . [all data]

Orlando, Tyndall, et al., 1993
Orlando, J.J.; Tyndall, G.S.; Moortgat, G.K.; Calvert, J.G., Quantum yields for nitrate radical photolysis between 570 and 635 nm, J. Phys. Chem., 1993, 97, 42, 10996, https://doi.org/10.1021/j100144a017 . [all data]

Mikhaylichenko, Riehn, et al., 1996
Mikhaylichenko, K.; Riehn, C.; Valachovic, L.; Sanov, A.; Wittig, C., Unimolecular decomposition of NO3: The NO+O2 threshold regime, J. Chem. Phys., 1996, 105, 16, 6807, https://doi.org/10.1063/1.472527 . [all data]

Valachovic, Riehn, et al., 1996
Valachovic, L.; Riehn, C.; Mikhaylichenko, K.; Wittig, C., Vibronic interactions in NO3: from the 2E´ origin region to the NO + O2 reactive channel, Chem. Phys. Lett., 1996, 258, 5-6, 644, https://doi.org/10.1016/0009-2614(96)00703-8 . [all data]

Weaver, Arnold, et al., 1991
Weaver, A.; Arnold, D.W.; Bradforth, S.E.; Neumark, D.M., Estimation of the 2A'2 and 2E States of NO3 by Ultraviolet Photoelectron Spectroscopy of NO3-, J. Chem. Phys., 1991, 94, 3, 1740, https://doi.org/10.1063/1.459947 . [all data]

Hirota, Ishiwata, et al., 1997
Hirota, E.; Ishiwata, T.; Kawaguchi, K.; Fujitake, M.; Ohashi, N.; Tanaka, I., Near-infrared band of the nitrate radical NO[sub 3] observed by diode laser spectroscopy, J. Chem. Phys., 1997, 107, 8, 2829, https://doi.org/10.1063/1.474641 . [all data]

Kawaguchi, Ishiwata, et al., 1998
Kawaguchi, K.; Ishiwata, T.; Hirota, E.; Tanaka, I., Infrared spectroscopy of the NO3 radical, Chem. Phys., 1998, 231, 2-3, 193, https://doi.org/10.1016/S0301-0104(97)00386-8 . [all data]

Deev, 2005
Deev, A., J. Sommar, 2005, nd M. Okumura, J. Chem. Phys. 122, 224305. [all data]

Takematsu, Eddingsaas, et al., 2013
Takematsu, K.; Eddingsaas, N.C.; Robichaud, D.J.; Okumura, M., Spectroscopic studies of the Jahn-Teller effect in the Ã2E´´ state of the nitrate radical NO3, Chem. Phys. Lett., 2013, 555, 57, https://doi.org/10.1016/j.cplett.2012.10.088 . [all data]

Wang, Yang, et al., 2002
Wang, X.-B.; Yang, W.; Wang, L.-S., Photodetachment and theoretical study of free and water-solvated nitrate anions, NO[sub 3][sup -](H[sub 2]O)[sub n] (n=0--6), J. Chem. Phys., 2002, 116, 2, 561, https://doi.org/10.1063/1.1427067 . [all data]

Jacox and Thompson, 2010
Jacox, M.E.; Thompson, W.E., A, J. Phys. Chem. A, 2010, 114, 14, 4712, https://doi.org/10.1021/jp908028c . [all data]

Friedl and Sander, 1987
Friedl, R.R.; Sander, S.P., Fourier transform infrared spectroscopy of the nitrate radical .nu.2 and .nu.3 bands: absolute line strength measurements, J. Phys. Chem., 1987, 91, 11, 2721, https://doi.org/10.1021/j100295a015 . [all data]

Stanton, 2007
Stanton, J.F., On the vibronic level structure in the NO[sub 3] radical. I. The ground electronic state, J. Chem. Phys., 2007, 126, 13, 134309, https://doi.org/10.1063/1.2715547 . [all data]

Fujimori, Shimizu, et al., 2013
Fujimori, R.; Shimizu, N.; Tang, J.; Ishiwata, T.; Kawaguchi, K., Fourier transform infrared spectroscopy of the «nu»2 and «nu»4 bands of NO3, J. Mol. Spectrosc., 2013, 283, 10, https://doi.org/10.1016/j.jms.2012.11.005 . [all data]

Jacox and Thompson, 2008
Jacox, M.E.; Thompson, W.E., The infrared spectroscopy and photochemistry of NO[sub 3] trapped in solid neon, J. Chem. Phys., 2008, 129, 20, 204306, https://doi.org/10.1063/1.3020753 . [all data]

Stanton, 2009
Stanton, J.F., On the vibronic level structure in the NO, Mol. Phys., 2009, 107, 8-12, 1059, https://doi.org/10.1080/00268970902740530 . [all data]

Kawaguchi, Shimizu, et al., 2011
Kawaguchi, K.; Shimizu, N.; Fujimori, R.; Tang, J.; Ishiwata, T.; Tanaka, I., J. Mol. Spectrosc., 2011, 268, 85. [all data]

Simmons, Ichino, et al., 2012
Simmons, C.S.; Ichino, T.; Stanton, J.F., The «nu», J. Phys. Chem. Lett., 2012, 3, 15, 1946, https://doi.org/10.1021/jz300721b . [all data]

Beckers, Willner, et al., 2009
Beckers, H.; Willner, H.; Jacox, M.E., Conflicting Observations Resolved by a Far IR and UV/Vis Study of the NO, ChemPhysChem, 2009, 10, 4, 706, https://doi.org/10.1002/cphc.200800860 . [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]

Dixon, Duxbury, et al., 1967
Dixon, R.N.; Duxbury, G.; Mitchell, R.C.; Simons, J.P., The Ultraviolet Absorption Spectrum of the FFormulaCN Radical, Proc. Roy. Soc. (London) A300, 1967, 300, 1462, 405, https://doi.org/10.1098/rspa.1967.0178 . [all data]

Nelson, Pasternack, et al., 1983, 2
Nelson, H.H.; Pasternack, L.; McDonald, J.R., Excited state dynamics of NO3, J. Chem. Phys., 1983, 79, 9, 4279, https://doi.org/10.1063/1.446354 . [all data]

Ishiwata, Tanaka, et al., 1985
Ishiwata, T.; Tanaka, I.; Kawaguchi, K.; Hirota, E., Infrared diode laser spectroscopy of the NO3 «nu»3 band, J Chem. Phys., 1985, 82, 5, 2196, https://doi.org/10.1063/1.448362 . [all data]

Kawaguchi, Hirota, et al., 1990
Kawaguchi, K.; Hirota, E.; Ishiwata, T.; Tanaka, I., A reinvestigation of the NO3 1492 cm-1 band, J. Chem. Phys., 1990, 93, 2, 951, https://doi.org/10.1063/1.459121 . [all data]

Kawaguchi, Ishiwata, et al., 1991
Kawaguchi, K.; Ishiwata, T.; Tanaka, I.; Hirota, E., Fourier-transform infrared spectroscopy of the NO3 radical, Chem. Phys. Lett., 1991, 180, 5, 436, https://doi.org/10.1016/0009-2614(91)85145-M . [all data]

Hirota, Kawaguchi, et al., 1991
Hirota, E.; Kawaguchi, K.; Ishiwata, T.; Tanaka, I., Vibronic interactions in the NO3 radical, J. Chem. Phys., 1991, 95, 2, 771, https://doi.org/10.1063/1.461083 . [all data]

Ishiwata, Tanaka, et al., 1992
Ishiwata, T.; Tanaka, I.; Kawaguchi, K.; Hirota, E., High-resolution infrared spectroscopy of NO3 in the 2500-cm-1 region, J. Mol. Spectrosc., 1992, 153, 1-2, 167, https://doi.org/10.1016/0022-2852(92)90466-2 . [all data]


Notes

Go To: Top, Vibrational and/or electronic energy levels, References