Cyanomethylene
- Formula: C2HN
- Molecular weight: 39.0360
- IUPAC Standard InChIKey: SZICEGNEOSKVLO-UHFFFAOYSA-N
- 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
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Reaction thermochemistry data
Go To: Top, 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: 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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 43.8 ± 6.7 | kcal/mol | N/A | Poutsma, Upshaw, et al., 2002 | gas phase |
ΔrH° | 43.7 ± 2.5 | kcal/mol | CIDT | Poutsma, Upshaw, et al., 2002 | gas phase |
Gas phase ion energetics data
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: John E. Bartmess
View reactions leading to C2HN+ (ion structure unspecified)
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
2.003 ± 0.014 | LPES | Nimlos, Davico, et al., 2002 | |
1.883 ± 0.013 | LPES | Nimlos, Davico, et al., 2002 | |
2.01 ± 0.34 | D-EA | Matimba, Crabbendam, et al., 1992 | |
1.93 ± 0.34 | D-EA | Grabowski and Melly, 1987 | Between H2O2 and mCl-toluene |
0.80 ± 0.40 | EIAE | Heni and Illenberger, 1986 | From MeCN |
>1.09997 | EIAE | Tsuda, Yokohata, et al., 1971 | From MeCN. G3MP2B3 calculations indicate an EA of ca. 2.0 eV. |
References
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, 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]
Nimlos, Davico, et al., 2002
Nimlos, M.R.; Davico, G.; Geise, C.M.; Wenthold, P.G.; Lineberger, W.C.; Blanksby, S.J.; Hadad, C.M.; Petersso,
Photoelectron spectroscopy of HCCN- and HCNC- reveals the quasilinear triplet carbenes, HCCN and HCNC,
J. Chem. Phys., 2002, 117, 9, 4323-4339, https://doi.org/10.1063/1.1496473
. [all data]
Matimba, Crabbendam, et al., 1992
Matimba, H.E.K.; Crabbendam, A.M.; Ingemann, S.; Nibbering, N.M.M.,
Gas-phase Bimolecular Chemistry of the .-CHNC and .-CHCN Radical Anions,
Int. J. Mass Spectrom. Ion Proc., 1992, 114, 1-2, 85, https://doi.org/10.1016/0168-1176(92)85024-T
. [all data]
Grabowski and Melly, 1987
Grabowski, J.J.; Melly, S.J.,
Formation of carbene radical anions: Gas phase reaction of the atomic oxygen anion with organic neutrals,
Int. J. Mass Spectrom. Ion Processes, 1987, 81, 147. [all data]
Heni and Illenberger, 1986
Heni, M.; Illenberger, E.,
Electron attachment by saturated nitriles. Acrylonitrile (CH2H3CN), and benzonitrile (C6H5CN),
Int. J. Mass Spectrom. Ion Phys., 1986, 73, 127. [all data]
Tsuda, Yokohata, et al., 1971
Tsuda, S.; Yokohata, A.; Umaba, T.,
Measurement of negative ions formed by electron impact. VIII. Ionization efficiency curves of negative ions from methyl and ethyl cyanides,
Bull. Chem. Soc. Jpn., 1971, 44, 1486. [all data]
Notes
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
EA Electron affinity ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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