DCCN

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:   a
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 4100 ± 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
Σ+ 1 CD stretch 2436.37 gas LD Sun, Kosterev, et al., 1998
1 CD stretch 2424.0 m s Ar IR Dendramis and Leroi, 1977
Maier, Reisenauer, et al., 1998
1 CD stretch 2432.3 N2 IR Maier, Reisenauer, et al., 1998
2 CCN a-stretch 1729.0 s Ar IR Dendramis and Leroi, 1977
Maier, Reisenauer, et al., 1998
2 CCN a-stretch 1739.5 N2 IR Maier, Reisenauer, et al., 1998
3 CCN s-stretch 1149.2 w m Ar IR Maier, Reisenauer, et al., 1998
3 CCN s-stretch 1148.5 N2 IR Maier, Reisenauer, et al., 1998
Π 4 CCN bend 367 ± 15 gas MW McCarthy, Gottlieb, et al., 1995
5 D deform. 74.84 gas MW LD McCarthy, Gottlieb, et al., 1995
Sun, Kosterev, et al., 1998
Jones, Sun, et al., 2001

Notes

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

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.

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]

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]

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]

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]

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]

Notes

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