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DCCNC


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

Sigma+ 1 CD stretch 2617.39 s gas IR Burger, Sommer, et al., 1992
1 CD stretch 2610 Ar IR Kolos and Waluk, 1997
Guennoun, Couturier-Tamburelli, et al., 2003
1 CD stretch 2604 Kr IR Khriachtchev, Lignell, et al., 2006
2 NC stretch 2157.58 s gas IR Burger, Sommer, et al., 1992
2 NC stretch 2151 Ar IR Kolos and Waluk, 1997
Guennoun, Couturier-Tamburelli, et al., 2003
2 NC stretch 2146 Kr IR Khriachtchev, Lignell, et al., 2006
3 CC stretch 1965.48 s gas IR Burger, Sommer, et al., 1992
3 CC stretch 1962 Ar IR Kolos and Waluk, 1997
Guennoun, Couturier-Tamburelli, et al., 2003
3 CC stretch 1958 Kr IR Khriachtchev, Lignell, et al., 2006
4 C-C stretch 923.58 w gas IR Burger, Sommer, et al., 1992
Pi 5 DCC bend 480.17 gas IR Burger, Sommer, et al., 1992
6 425 T gas IR Burger, Sommer, et al., 1992

Notes

wWeak
sStrong
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.

Burger, Sommer, et al., 1992
Burger, H.; Sommer, S.; Preugschat, D.; Lentz, D., High-resolution FTIR study and rotational analyses of the «nu»1-«nu»5 bands of ethynyl isocyanide: HCCNC and DCCNC, J. Mol. Spectrosc., 1992, 156, 2, 360, https://doi.org/10.1016/0022-2852(92)90237-I . [all data]

Kolos and Waluk, 1997
Kolos, R.; Waluk, J., Matrix-isolated products of cyanoacetylene dissociation, J. Mol. Struct., 1997, 408/409, 473, https://doi.org/10.1016/S0022-2860(96)09573-7 . [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]


Notes

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