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Cyanomethylene


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:   ?


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

Ar 240 340 Dendramis and Leroi, 1977

State:   a


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

To = 4115 ± 120 gas Nimlos, Davico, et al., 2002
Vogelhuber, Wren, et al., 2011


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

2 CN stretch 1936 ± 40 gas PE Vogelhuber, Wren, et al., 2011

State:   X


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

Sigma+ 1 CH stretch 3246.66 gas CC Morter, Farhat, et al., 1993
1 CH stretch 3229.4 s Ar IR Dendramis and Leroi, 1977
Maier, Reisenauer, et al., 1998
1 CH stretch 3213.3 N2 IR Maier, Reisenauer, et al., 1998
2 CCN a-stretch 1734.9 s Ar IR Dendramis and Leroi, 1977
Maier, Reisenauer, et al., 1998
2 CCN a-stretch 1750.3 N2 IR Maier, Reisenauer, et al., 1998
3 CCN s-stretch 1178.6 w m Ar IR Dendramis and Leroi, 1977
Maier, Reisenauer, et al., 1998
Pi 4 H deform. 383 ± 20 gas CC MW Morter, Farhat, et al., 1993
McCarthy, Gottlieb, et al., 1995
5 Skel. deform. 128.91 gas MW CC McCarthy, Gottlieb, et al., 1995
Han, Hung, et al., 1999
Allen, Evenson, et al., 2001
Nimlos, Davico, et al., 2002

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

wWeak
mMedium
sStrong
oEnergy separation between the v = 0 levels of the excited and electronic ground states.

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.

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 «nu»1 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 «nu»1 + «nu»5 Band of HCCN: Determination of the «nu»5 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 «nu»5 Bending Vibration--Rotation Band of HCCN in its X3«SIGMA»- 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 3«SIGMA»- 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., «nu»[sub 1] and «nu»[sub 1]+«nu»[sub 5] of DCCN: Determination of the «nu»[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 n«nu»[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

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