NCCNO

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
Tx = 39730 gas 210 290 Pasinszki and Westwood, 1996

State:   X

Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
Σ 1 CNO a-stretch 2328 vs gas IR Pasinszki and Westwood, 1996
1 CNO a-stretch 2356 vs Ar IR Maier and Teles, 1987
2 CN stretch 2192 m gas IR Pasinszki and Westwood, 1996
2 CN stretch 2192 w Ar IR Maier and Teles, 1987
3 CNO s-stretch 1442 s gas IR Pasinszki and Westwood, 1996
3 CNO s-stretch 1445 w m Ar IR Maier and Teles, 1987
4 CC stretch 714.75 w gas IR Guo, Pasinszki, et al., 1996
Pasinszki and Westwood, 1996
4 CC stretch 717 w Ar IR Maier and Teles, 1987
Π 5 CNO bend 422 T gas IR Pasinszki and Westwood, 1996
6 NCC bend 403.93 w gas IR Guo, Pasinszki, et al., 1996
Pasinszki and Westwood, 1996
6 NCC bend 407 w Ar IR Maier and Teles, 1987
7 CCN bend 80.52 gas IR MW Pasinszki and Westwood, 1996
Lichau, Ross, et al., 2001

Additional references: Jacox, 1994, page 283; Jacox, 1998, page 297; Jacox, 2003, page 295; Brupbacher, Bohn, et al., 1997

Notes

wWeak
mMedium
sStrong
vsVery strong
TTentative assignment or approximate value
xEnergy separation between the band maximum of the excited electronic state and the v = 0 level of the ground state.

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.

Pasinszki and Westwood, 1996
Pasinszki, T.; Westwood, N.P.C., Ground, Excited, and Ionic States of the NCCNO Molecule: A HeI Photoelectron, Infrared, Ultraviolet, and, J. Phys. Chem., 1996, 100, 42, 16586, https://doi.org/10.1021/jp9617938 . [all data]

Maier and Teles, 1987
Maier, G.; Teles, J.H., Isolierung und Photoisomerisierung von einfach substituierten Nitriloxiden, Angew. Chem., 1987, 99, 2, 152, https://doi.org/10.1002/ange.19870990221 . [all data]

Guo, Pasinszki, et al., 1996
Guo, B.; Pasinszki, T.; Westwood, N.P.C.; Zhang, K.; Bernath, P.F., High resolution infrared spectroscopy of cyanogen N-oxide, NCCNO, J. Chem. Phys., 1996, 105, 11, 4457, https://doi.org/10.1063/1.472297 . [all data]

Lichau, Ross, et al., 2001
Lichau, H.; Ross, S.C.; Lock, M.; Albert, S.; Winnewisser, B.P.; Winnewisser, M.; De Lucia, F.C., On the Low-Lying CCN Bending Mode of the Nearly Linear Molecule NCCNO, J. Phys. Chem. A, 2001, 105, 44, 10080, https://doi.org/10.1021/jp012068m . [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]

Brupbacher, Bohn, et al., 1997
Brupbacher, Th.; Bohn, R.K.; Jager, W.; Gerry, M.C.L.; Pasinszki, T.; Westwood, N.P.C., Microwave Spectrum and Geometry of CyanogenN-Oxide, NCCNO, J. Mol. Spectrosc., 1997, 181, 2, 316, https://doi.org/10.1006/jmsp.1996.7180 . [all data]

Notes

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