Isocyanoacetylene

• Formula: C₃HN
• Molecular weight: 51.0467
• IUPAC Standard InChI: InChI=1S/C3HN/c1-3-4-2/h1H Copy

  
• IUPAC Standard InChIKey: REHKGFPHRDKAKX-UHFFFAOYSA-N Copy
• CAS Registry Number: 66723-45-3
• Chemical structure:
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• Information on this page:
  • Gas phase ion energetics data
  • Vibrational and/or electronic energy levels
  • References
  • Notes
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Gas phase ion energetics data

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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: Sharon G. Lias and Joel F. Liebman

View reactions leading to C₃HN⁺ (ion structure unspecified)

Ionization energy determinations

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

Additional references: Jacox, 1994, page 267; Jacox, 2003, page 273; Guarnieri, Hinze, et al., 1992; Huckauf, Guarnieri, et al., 1998; Vigouroux, Fayt, et al., 2000

Notes

References

Go To: Top, Gas phase ion energetics data, 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.

Zanathy, Bock, et al., 1992
Zanathy, L.; Bock, B.; Lentz, D.; Preugschat, D.; Botschwina, P., Generation, isolation and photoelectron spectrum of HC≡C-N≡C, J. Chem. Soc., Chem. Commun., 1992, 1992, 403. [all data]

Kruger, Dreizler, et al., 1992
Kruger, M.; Dreizler, H.; Preugschat, D.; Lentz, D., Synthese und Struktur von Ethinylisocyanid, Angew. Chem., 1992, 103, 12, 1674, https://doi.org/10.1002/ange.19911031217 . [all data]

Burger, Sommer, et al., 1992
Burger, H.; Sommer, S.; Preugschat, D.; Lentz, D., High-resolution FTIR study and rotational analyses of the ν1-ν5 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]

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]

Guarnieri, Hinze, et al., 1992
Guarnieri, A.; Hinze, R.; Kruger, M.; Zerbe-Foese, H.; Lentz, D.; Preugschat, D., The millimeter-wave spectrum of ethynylisocyanide (H«58872»C«58876»C«58872»N«58875»C), J. Mol. Spectrosc., 1992, 156, 1, 39, https://doi.org/10.1016/0022-2852(92)90091-2 . [all data]

Huckauf, Guarnieri, et al., 1998
Huckauf, A.; Guarnieri, A.; Lentz, D.; Fayt, A., The Millimeter-Wave Spectrum of DCCNC, J. Mol. Spectrosc., 1998, 188, 2, 109, https://doi.org/10.1006/jmsp.1997.7494 . [all data]

Vigouroux, Fayt, et al., 2000
Vigouroux, C.; Fayt, A.; Guarnieri, A.; Huckauf, A.; Burger, H.; Lentz, D.; Preugschat, D., Global Rovibrational Analysis of HCCNC Based on Infrared and Millimeter-Wave Spectra, J. Mol. Spectrosc., 2000, 202, 1, 1, https://doi.org/10.1006/jmsp.2000.8122 . [all data]

Notes

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• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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