Trifluoromethyl peroxynitrate


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   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, 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, Vibrational and/or electronic energy levels, References