Trifluoromethyl peroxynitrate


Mass spectrum (electron ionization)

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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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin F.A. HOHORST, ALLIED CHEMICAL, IDAHO FALLS, IDAHO, U
NIST MS number 72070

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Vibrational and/or electronic energy levels

Go To: Top, Mass spectrum (electron ionization), 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:   ?


 Energy 
 (cm-1
 Med.   Transition   λmin 
 (nm) 
 λmax 
 (nm) 
 References

Td = 29400 gas 190U 340 Kopitzky, Willner, et al., 1998

State:   X


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

1 NO2 a-stretch 1764 s gas IR Hohorst and DesMarteau, 1974
Chen, Young, et al., 1993
Kopitzky, Willner, et al., 1998
1 NO2 a-stretch 1762 s Ar IR Kopitzky, Willner, et al., 1998
2 NO2 s-stretch 1314 s gas IR Kopitzky, Willner, et al., 1998
2 NO2 s-stretch 1308 m Ar IR Kopitzky, Willner, et al., 1998
3 CF3 s-stretch 1303 s gas IR Hohorst and DesMarteau, 1974
Chen, Young, et al., 1993
Kopitzky, Willner, et al., 1998
3 CF3 s-stretch 1290 s Ar IR Kopitzky, Willner, et al., 1998
4 CF3 a-stretch 1243 vs gas IR Hohorst and DesMarteau, 1974
Chen, Young, et al., 1993
Kopitzky, Willner, et al., 1998
4 CF3 a-stretch 1238 vs Ar IR Kopitzky, Willner, et al., 1998
5 CF3 a-stretch 1192 vs gas IR Hohorst and DesMarteau, 1974
Chen, Young, et al., 1993
Kopitzky, Willner, et al., 1998
5 CF3 a-stretch 1187 s Ar IR Kopitzky, Willner, et al., 1998
6 OO stretch 958 w m gas IR Hohorst and DesMarteau, 1974
Chen, Young, et al., 1993
Kopitzky, Willner, et al., 1998
6 OO stretch 960 w m Ar IR Kopitzky, Willner, et al., 1998
7 CO stretch 860 w gas IR Kopitzky, Willner, et al., 1998
7 CO stretch 880 w Ar IR Kopitzky, Willner, et al., 1998
8 NO2 scissors 792 m s gas IR Hohorst and DesMarteau, 1974
Chen, Young, et al., 1993
Kopitzky, Willner, et al., 1998
8 NO2 scissors 787 m Ar IR Kopitzky, Willner, et al., 1998
9 ONO2 OPLA 710 w m gas IR Hohorst and DesMarteau, 1974
Chen, Young, et al., 1993
Kopitzky, Willner, et al., 1998
9 ONO2 OPLA 708 w Ar IR Kopitzky, Willner, et al., 1998
11 CF3 a-deform. 674 w m gas IR Hohorst and DesMarteau, 1974
Kopitzky, Willner, et al., 1998
11 CF3 a-deform. 676 w Ar IR Kopitzky, Willner, et al., 1998
12 CF3 a-deform. 608 w m gas IR Hohorst and DesMarteau, 1974
Kopitzky, Willner, et al., 1998
12 CF3 a-deform. 609 w Ar IR Kopitzky, Willner, et al., 1998
13 NO2 rock 565 w gas IR Hohorst and DesMarteau, 1974
Kopitzky, Willner, et al., 1998
13 NO2 rock 570 w Ar IR Kopitzky, Willner, et al., 1998
14 N-OO stretch 495 w m gas IR Hohorst and DesMarteau, 1974
Kopitzky, Willner, et al., 1998
14 N-OO stretch 498 w Ar IR Kopitzky, Willner, et al., 1998
15 CF3 rock 445 w gas IR Hohorst and DesMarteau, 1974
Kopitzky, Willner, et al., 1998
15 CF3 rock 450 w Ar IR Kopitzky, Willner, et al., 1998
16 CF3 rock 380 w gas IR Hohorst and DesMarteau, 1974
Kopitzky, Willner, et al., 1998
17 OO-NO2 deform. 286 w gas IR Hohorst and DesMarteau, 1974
Kopitzky, Willner, et al., 1998
18 OO-CF3 deform. 256 w m gas IR Hohorst and DesMarteau, 1974
Kopitzky, Willner, et al., 1998

Additional references: Jacox, 1998, page 368; Jacox, 2003, page 395

Notes

wWeak
mMedium
sStrong
vsVery strong
dPhotodissociation threshold

References

Go To: Top, Mass spectrum (electron ionization), 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.

Kopitzky, Willner, et al., 1998
Kopitzky, R.; Willner, H.; Mack, H.-G.; Pfeiffer, A.; Oberhammer, H., IR and UV Absorption Cross Sections, Vibrational Analysis, and the Molecular Structure of Trifluoromethyl Peroxynitrate, CF, Inorg. Chem., 1998, 37, 24, 6208, https://doi.org/10.1021/ic980776p . [all data]

Hohorst and DesMarteau, 1974
Hohorst, F.A.; DesMarteau, D.D., Reactions of trifluromethyl peroxy derivatives with inorganic nitrogen compounds. Synthesis and vibrational spectrum of trifluoromethyl peroxynitrate, Inorg. Chem., 1974, 13, 3, 715, https://doi.org/10.1021/ic50133a040 . [all data]

Chen, Young, et al., 1993
Chen, J.; Young, V.; Zhu, T.; Niki, H., Long-path Fourier-transform infrared spectroscopic study of the reactions of trifluoromethylperoxy and trifluoromethoxy radicals with nitrogen dioxide, J. Phys. Chem., 1993, 97, 45, 11696, https://doi.org/10.1021/j100147a024 . [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]


Notes

Go To: Top, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, References