CHN2


Reaction thermochemistry 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: John E. Bartmess

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Individual Reactions

CN2- + Hydrogen cation = CHN2

By formula: CN2- + H+ = CHN2

Quantity Value Units Method Reference Comment
Δr352.0 ± 4.3kcal/molG+TSClifford, Wenthold, et al., 1998gas phase; between pyrazole, tBuSH
Quantity Value Units Method Reference Comment
Δr344.3 ± 4.0kcal/molIMRBClifford, Wenthold, et al., 1998gas phase; between pyrazole, tBuSH

Gas phase ion energetics data

Go To: Top, Reaction thermochemistry data, Vibrational and/or electronic energy levels, NIST Free Links, 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

View reactions leading to CHN2+ (ion structure unspecified)

De-protonation reactions

CN2- + Hydrogen cation = CHN2

By formula: CN2- + H+ = CHN2

Quantity Value Units Method Reference Comment
Δr352.0 ± 4.3kcal/molG+TSClifford, Wenthold, et al., 1998gas phase; between pyrazole, tBuSH
Quantity Value Units Method Reference Comment
Δr344.3 ± 4.0kcal/molIMRBClifford, Wenthold, et al., 1998gas phase; between pyrazole, tBuSH

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:   C


 Energy 
 (cm-1
 Med.   Transition   λmin 
 (nm) 
 λmax 
 (nm) 
 References

To = 31521 gas C-X 289 317 Basco and Yee, 1968
Kroto, Morgan, et al., 1970
Bise, Hoops, et al., 2001


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

a' NCN s-stretch 1024 gas AB PF Basco and Yee, 1968
Kroto, Morgan, et al., 1970
Bise, Hoops, et al., 2001

State:   B


 Energy 
 (cm-1
 Med.   Transition   λmin 
 (nm) 
 λmax 
 (nm) 
 References

To = 28994.1 gas A-X 344 364 Herzberg and Warsop, 1963
Wu, Hall, et al., 1993
Bise, Hoops, et al., 2001


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

a 6 NCN deform. 560 ± 10 gas PF Bise, Hoops, et al., 2001

State:   X


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

a' 1 NH stretch 3297.5 m Ar IR Maier, Eckwert, et al., 1996
2 NCN a-stretch 1879 ± 106 gas PE Clifford, Wenthold, et al., 1997
2 NCN a-stretch 1843 s Ar IR Maier, Eckwert, et al., 1996
3 NCN s-stretch 1049 ± 162 gas PE Clifford, Wenthold, et al., 1997
3 1146 vs Ar IR Maier, Eckwert, et al., 1996
a 6 NCN deform. 440 T gas LF Wu, Hall, et al., 1993

Additional references: Jacox, 1994, page 160; Jacox, 1998, page 235; Jacox, 2003, page 188; Yamamoto and Saito, 1994

Notes

mMedium
sStrong
vsVery strong
TTentative assignment or approximate value
oEnergy separation between the v = 0 levels of the excited and electronic ground states.

References

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, NIST Free Links, Notes

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

Clifford, Wenthold, et al., 1998
Clifford, E.P.; Wenthold, P.G.; Lineberger, W.C.; Peterssom, G.A.; Broaddus, K.M.; Kass, S.R.; Kato, S., Properties of Diazocarbene [CNN] and the diazomethyl Radical [HCNN] via Ion Chemistry and Spectroscopy, J. Phys. Chem. A, 1998, 102, 36, 7100, https://doi.org/10.1021/jp9802735 . [all data]

Basco and Yee, 1968
Basco, N.; Yee, K.K., Chem. Commun., 1968, 150. [all data]

Kroto, Morgan, et al., 1970
Kroto, H.W.; Morgan, T.F.; Sheena, H.H., Flash photolysis of cyanogen azide, NCN3, Trans. Faraday Soc., 1970, 66, 2237, https://doi.org/10.1039/tf9706602237 . [all data]

Bise, Hoops, et al., 2001
Bise, R.T.; Hoops, A.A.; Neumark, D.M., Photodissociation and photoisomerization pathways of the HNCN free radical, J. Chem. Phys., 2001, 114, 20, 9000, https://doi.org/10.1063/1.1367411 . [all data]

Herzberg and Warsop, 1963
Herzberg, G.; Warsop, P.A., SPECTRUM AND STRUCTURE OF THE FREE HNCN RADICAL, Can. J. Phys., 1963, 41, 2, 286, https://doi.org/10.1139/p63-034 . [all data]

Wu, Hall, et al., 1993
Wu, M.; Hall, G.; Sears, T.J., J. Chem. Soc., 1993, Faraday Trans. 89, 615. [all data]

Maier, Eckwert, et al., 1996
Maier, G.; Eckwert, J.; Bothur, A.; Reisenauer, H.P.; Schmidt, C., Liebigs Ann., 1996, 1041. [all data]

Clifford, Wenthold, et al., 1997
Clifford, E.P.; Wenthold, P.G.; Lineberger, W.C.; Peterssom, G.A.; Ellison, G.B., Photoelectron Spectroscopy of the NCN- and HNCN- Ions, J. Phys. Chem. A, 1997, 101, 24, 4338, https://doi.org/10.1021/jp964067d . [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]

Yamamoto and Saito, 1994
Yamamoto, S.; Saito, S., Microwave spectrum of the HNCN radical in the X 2A' ground electronic state, J. Chem. Phys., 1994, 101, 12, 10350, https://doi.org/10.1063/1.467915 . [all data]


Notes

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