NCCCNC

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
Σ+ 1 CC stretch 2295.72 gas IR Bartel, Botschwina, et al., 1998
Winther, Schonhoff, et al., 2002
1 CC stretch 2287.1 s Ar IR Smith, Schallmoser, et al., 1993
Smith, Bondybey, et al., 1994
Guennoun, Couturier-Tamburelli, et al., 2003
2 -CN stretch 2209.62 gas IR Bartel, Botschwina, et al., 1998
Winther, Schonhoff, et al., 2002
2 -CN stretch 2203.6 s Ar IR Smith, Schallmoser, et al., 1993
Smith, Bondybey, et al., 1994
Guennoun, Couturier-Tamburelli, et al., 2003
3 -NC stretch 2052.98 gas IR Bartel, Botschwina, et al., 1998
Winther, Schonhoff, et al., 2002
3 -NC stretch 2044.8 vs Ar IR Smith, Schallmoser, et al., 1993
Smith, Bondybey, et al., 1994
Guennoun, Couturier-Tamburelli, et al., 2003
4 C-C,C-N a-str. 1202.3 w Ar IR Smith, Schallmoser, et al., 1993
Smith, Bondybey, et al., 1994
5 C-C,C-N s-str. 610.1 w T Ar IR Smith, Schallmoser, et al., 1993
Smith, Bondybey, et al., 1994

Additional references: Jacox, 1994, page 343; Jacox, 1998, page 320; Jacox, 2003, page 328; Huckauf, Guarnieri, et al., 1999

Notes

wWeak
sStrong
vsVery strong
TTentative assignment or approximate value

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.

Bartel, Botschwina, et al., 1998
Bartel, C.; Botschwina, P.; Burger, H.; Guarnieri, A.; Heyl, A., et al., Cyanisocyanacetylen, N≡C-C≡C-N≡C, Angew. Chem., 1998, 110, 20, 3036, https://doi.org/10.1002/(SICI)1521-3757(19981016)110:20<3036::AID-ANGE3036>3.0.CO;2-N . [all data]

Winther, Schonhoff, et al., 2002
Winther, F.; Schonhoff, M.; Huckauf, A.; Mkadmi, E.B., The ν1, ν2, and ν3 Band Systems of 3-Isocyano-2-propynenitrile (NC«58872»C«58876»C«58872»NC): Comparison with the ν4 System of Dicyanoacetylene, J. Mol. Spectrosc., 2002, 216, 2, 374, https://doi.org/10.1006/jmsp.2002.8631 . [all data]

Smith, Schallmoser, et al., 1993
Smith, A.M.; Schallmoser, G.; Thoma, A.; Bondybey, V.E., Infrared spectral evidence of N≡C--C≡C--N≡C: Photoisomerization of N≡C--C≡C--C≡N in an argon matrix, J. Chem. Phys., 1993, 98, 3, 1776, https://doi.org/10.1063/1.464266 . [all data]

Smith, Bondybey, et al., 1994
Smith, A.M.; Bondybey, V.E.; Horn, M.; Botschwina, P., Identification of combination and overtone bands in the matrix infrared spectrum of NC3NC, J. Chem. Phys., 1994, 100, 2, 765, https://doi.org/10.1063/1.466558 . [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]

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]

Huckauf, Guarnieri, et al., 1999
Huckauf, A.; Guarnieri, A.; Heyl, A.; Botschwina, P.; Bartel, C.; Lentz, D., NC3NC: a combined millimetre-wave spectroscopic and ab initio investigation, Chem. Phys. Lett., 1999, 303, 5-6, 607, https://doi.org/10.1016/S0009-2614(99)00250-X . [all data]

Notes

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