Cyanomethylene

• Formula: C₂HN
• Molecular weight: 39.0360
• IUPAC Standard InChI: InChI=1S/C2HN/c1-2-3/h1H Copy

  
• IUPAC Standard InChIKey: SZICEGNEOSKVLO-UHFFFAOYSA-N Copy
• CAS Registry Number: 2612-62-6
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
  The 3d structure may be viewed using Java or Javascript.
• Other names: HCCN radical
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Reaction thermochemistry data
  • Vibrational and/or electronic energy levels
  • References
  • Notes
• Other data available:
  • Gas phase ion energetics data
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
• Options:
  • Switch to calorie-based units

Reaction thermochemistry data

Go To: Top, Vibrational and/or electronic energy levels, References, Notes

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

Data compiled by: John E. Bartmess

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

(CAS Reg. No. 74595-99-6 • 4294967295) +  = CAS Reg. No. 74595-99-6

By formula: (CAS Reg. No. 74595-99-6 • 4294967295C₂HN) + C₂HN = CAS Reg. No. 74595-99-6

Vibrational and/or electronic energy levels

Go To: Top, Reaction thermochemistry data, References, Notes

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:   ?

State:   a

State:   X

Additional references: Jacox, 1994, page 156; Jacox, 1998, page 234; Jacox, 2003, page 185; Bernheim, Kempf, et al., 1965; Merer and Travis, 1965; Merer and Travis, 1966; Saito, Endo, et al., 1984; Brown, Saito, et al., 1990; Endo and Ohshima, 1993; Sun, Kosterev, et al., 1998; Jones, Sun, et al., 2001; Hung, Sun, et al., 2001

Notes

References

Go To: Top, Reaction thermochemistry 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.

Poutsma, Upshaw, et al., 2002
Poutsma, J.C.; Upshaw, S.D.; Squires, R.R.; Wenthold, P.G., Absolute heat of formation and singlet-triplet splitting for HCCN, J. Phys. Chem. A, 2002, 106, 6, 1067-1073, https://doi.org/10.1021/jp013653q . [all data]

Dendramis and Leroi, 1977
Dendramis, A.; Leroi, G.E., Matrix isolation spectroscopic study of the free radical HCCN, J. Chem. Phys., 1977, 66, 10, 4334, https://doi.org/10.1063/1.433724 . [all data]

Nimlos, Davico, et al., 2002
Nimlos, M.R.; Davico, G.; Geise, C.M.; Wenthold, P.G.; Blanksby, W.C. Lineberger.S.J.; Hadad, C.M.; Petersson, G.A.; Ellison, G.B., Photoelectron spectroscopy of HCCN[sup -] and HCNC[sup -] reveals the quasilinear triplet carbenes, HCCN and HCNC, J. Chem. Phys., 2002, 117, 9, 4323, https://doi.org/10.1063/1.1496473 . [all data]

Vogelhuber, Wren, et al., 2011
Vogelhuber, K.M.; Wren, S.W.; Shaffer, C.J.; McMahon, R.J.; McCoy, A.B.; Lineberger, W.C., Photoelectron spectroscopy of HC4N-, J. Chem. Phys., 2011, 135, 20, 204307, https://doi.org/10.1063/1.3663617 . [all data]

Morter, Farhat, et al., 1993
Morter, C.L.; Farhat, S.K.; Curl, R.F., The ν1 fundamental of HCCN: evidence for quasilinearity, Chem. Phys. Lett., 1993, 207, 2-3, 153, https://doi.org/10.1016/0009-2614(93)87007-P . [all data]

Maier, Reisenauer, et al., 1998
Maier, G.; Reisenauer, H.P.; Rademacher, K., Cyanocarbene, Isocyanocarbene, and Azacyclopropenylidene: A Matrix-Spectroscopic Study, Chem. Eur. J., 1998, 4, 10, 1957, https://doi.org/10.1002/(SICI)1521-3765(19981002)4:10<1957::AID-CHEM1957>3.0.CO;2-1 . [all data]

McCarthy, Gottlieb, et al., 1995
McCarthy, M.C.; Gottlieb, C.A.; Cooksy, A.L.; Thaddeus, P., Evidence for nonrigid HCCN, J. Chem. Phys., 1995, 103, 18, 7779, https://doi.org/10.1063/1.470193 . [all data]

Han, Hung, et al., 1999
Han, J.-X.; Hung, P.Y.; DeSain, J.; Jones, W.E.; Curl, R.F., The ν1 + ν5 Band of HCCN: Determination of the ν5 Vibrational Energy, J. Mol. Spectrosc., 1999, 198, 2, 421, https://doi.org/10.1006/jmsp.1999.7965 . [all data]

Allen, Evenson, et al., 2001
Allen, M.D.; Evenson, K.M.; Brown, J.M., High-Resolution Spectroscopic Measurements of the ν5 Bending Vibration--Rotation Band of HCCN in its X3Σ- State at 129 cm-1, J. Mol. Spectrosc., 2001, 209, 2, 143, https://doi.org/10.1006/jmsp.2001.8387 . [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]

Bernheim, Kempf, et al., 1965
Bernheim, R.A.; Kempf, R.J.; Gramas, J.V.; Skell, P.S., Electron Paramagnetic Resonance of Triplet Alternant Methylenes. Propargylene and Homologs, J. Chem. Phys., 1965, 43, 1, 196, https://doi.org/10.1063/1.1696454 . [all data]

Merer and Travis, 1965
Merer, A.J.; Travis, D.N., ABSORPTION SPECTRUM OF THE CCN RADICAL, Can. J. Phys., 1965, 43, 10, 1795, https://doi.org/10.1139/p65-173 . [all data]

Merer and Travis, 1966
Merer, A.J.; Travis, D.N., THE ABSORPTION SPECTRUM OF CNC, Can. J. Phys., 1966, 44, 2, 353, https://doi.org/10.1139/p66-029 . [all data]

Saito, Endo, et al., 1984
Saito, S.; Endo, Y.; Hirota, E., The microwave spectrum of a triplet carbene: HCCN in the X 3Σ- state, J. Chem. Phys., 1984, 80, 4, 1427, https://doi.org/10.1063/1.446879 . [all data]

Brown, Saito, et al., 1990
Brown, F.X.; Saito, S.; Yamamoto, S., Microwave spectroscopy of isotopically substituted HCCN and its molecular structure, J. Mol. Spectrosc., 1990, 143, 2, 203, https://doi.org/10.1016/0022-2852(91)90084-N . [all data]

Endo and Ohshima, 1993
Endo, Y.; Ohshima, Y., Fourier-transform microwave spectroscopy of the HCCN radical. Determination of the hyperfine coupling constants, J. Chem. Phys., 1993, 98, 9, 6618, https://doi.org/10.1063/1.464804 . [all data]

Sun, Kosterev, et al., 1998
Sun, F.; Kosterev, A.; Scott, G.; Litosh, V.; Curl, R.F., ν[sub 1] and ν[sub 1]+ν[sub 5] of DCCN: Determination of the ν[sub 5] energy and the quasilinearity of DCCN, J. Chem. Phys., 1998, 109, 20, 8851, https://doi.org/10.1063/1.477556 . [all data]

Jones, Sun, et al., 2001
Jones, W.E.; Sun, F.; Curl, R.F.; Allen, M.D.; Evenson, K.M.; Brown, J.M., Can. J. Phys., 2001, 79, 389. [all data]

Hung, Sun, et al., 2001
Hung, P.Y.; Sun, F.; Hunt, N.T.; Burns, L.A.; Curl, R.F., High-resolution infrared spectroscopic determination of the nν[sub 5][sup ±n] vibrational energies of HCCN and DCCN, J. Chem. Phys., 2001, 115, 20, 9331, https://doi.org/10.1063/1.1413981 . [all data]

Notes

Go To: Top, Reaction thermochemistry data, Vibrational and/or electronic energy levels, References

• Symbols used in this document:
  

  ΔrH°	Enthalpy of reaction at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
• The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
• Customer support for NIST Standard Reference Data products.