CHN2
- Formula: CHN2
- Molecular weight: 41.0320
- CAS Registry Number: 12347-01-2
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Reaction thermochemistry data
Go To: Top, Gas phase ion energetics data, 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
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Individual Reactions
CN2- + = CHN2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 352.0 ± 4.3 | kcal/mol | G+TS | Clifford, Wenthold, et al., 1998 | gas phase; between pyrazole, tBuSH |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 344.3 ± 4.0 | kcal/mol | IMRB | Clifford, Wenthold, et al., 1998 | gas phase; between pyrazole, tBuSH |
Gas phase ion energetics data
Go To: Top, Reaction thermochemistry data, 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
View reactions leading to CHN2+ (ion structure unspecified)
De-protonation reactions
CN2- + = CHN2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 352.0 ± 4.3 | kcal/mol | G+TS | Clifford, Wenthold, et al., 1998 | gas phase; between pyrazole, tBuSH |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 344.3 ± 4.0 | kcal/mol | IMRB | Clifford, Wenthold, et al., 1998 | gas phase; between pyrazole, tBuSH |
Vibrational and/or electronic energy levels
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics 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: 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
m | Medium |
s | Strong |
vs | Very strong |
T | Tentative assignment or approximate value |
o | Energy 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, 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
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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