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HNCCC


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:   X


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

a' 1 NH stretch 3562 m Ar IR Kolos and Sobolewski, 2001
Guennoun, Couturier-Tamburelli, et al., 2003
Khriachtchev, Lignell, et al., 2006
1 NH stretch 3551 Kr IR Khriachtchev, Lignell, et al., 2006
1 NH stretch 3549 T Xe IR Khriachtchev, Lignell, et al., 2006
2 NC stretch 2205 vs Ar IR Kolos and Sobolewski, 2001
Guennoun, Couturier-Tamburelli, et al., 2003
Khriachtchev, Lignell, et al., 2006
2 NC stretch 2200 Kr IR Khriachtchev, Lignell, et al., 2006
2 NC stretch 2196 Xe IR Khriachtchev, Lignell, et al., 2006
3 Skel. stretch 1905 w Ar IR Kolos and Sobolewski, 2001
Guennoun, Couturier-Tamburelli, et al., 2003
Khriachtchev, Lignell, et al., 2006
3 Skel. stretch 1903 Kr IR Khriachtchev, Lignell, et al., 2006
3 Skel. stretch 1901 Xe IR Khriachtchev, Lignell, et al., 2006

Additional references: Jacox, 1994, page 267; Jacox, 2003, page 273; Hirahara, Ohshima, et al., 1993

Notes

wWeak
mMedium
vsVery strong
TTentative assignment or approximate value

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.

Kolos and Sobolewski, 2001
Kolos, R.; Sobolewski, A.L., The infrared spectroscopy of HNCCC: matrix isolation and density functional theory study, Chem. Phys. Lett., 2001, 344, 5-6, 625, https://doi.org/10.1016/S0009-2614(01)00793-X . [all data]

Guennoun, Couturier-Tamburelli, et al., 2003
Guennoun, Z.; Couturier-Tamburelli, I.; Pietri, N.; Aycard, J.P., UV photoisomerisation of cyano and dicyanoacetylene: the first identification of CCNCH and CCCNCN isomers -- matrix isolation, infrared and ab initio study, Chem. Phys. Lett., 2003, 368, 5-6, 574, https://doi.org/10.1016/S0009-2614(02)01898-5 . [all data]

Khriachtchev, Lignell, et al., 2006
Khriachtchev, L.; Lignell, A.; Tanskanen, H.; Lundell, J.; Kiljunen, H.; Rasanen, M., Insertion of Noble Gas Atoms into Cyanoacetylene: An ab Initio and Matrix Isolation Study, J. Phys. Chem. A, 2006, 110, 42, 11876, https://doi.org/10.1021/jp063731f . [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, 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]

Hirahara, Ohshima, et al., 1993
Hirahara, Y.; Ohshima, Y.; Endo, Y., Laboratory detection of HNCCC and DNCCC by pulsed discharge nozzle Fourier-transform microwave spectroscopy, Astrophys. J., 1993, 403, L83, https://doi.org/10.1086/186727 . [all data]


Notes

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