DNCCC

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 ND stretch 2692 m Ar IR Guennoun, Couturier-Tamburelli, et al., 2003
1 ND stretch K IR 4
2 NC stretch 2162 vs Ar IR Kolos and Sobolewski, 2001
Guennoun, Couturier-Tamburelli, et al., 2003
2 NC stretch 2157 Kr IR Khriachtchev, Lignell, et al., 2006
3 Skel. stretch 1890 w T Ar IR Kolos and Sobolewski, 2001
3 Skel. stretch 1878 Kr IR Khriachtchev, Lignell, et al., 2006

Notes

wWeak
mMedium
vsVery strong
TTentative assignment or approximate value
KInteraction with potassium

References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

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]

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]

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]

Notes

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