Cyanomethylene


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

(CAS Reg. No. 74595-99-6 • 4294967295Cyanomethylene) + Cyanomethylene = 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
Δr183. ± 28.kJ/molN/APoutsma, Upshaw, et al., 2002gas phase
Δr183. ± 10.kJ/molCIDTPoutsma, Upshaw, et al., 2002gas phase

Gas phase ion energetics 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

View reactions leading to C2HN+ (ion structure unspecified)

Electron affinity determinations

EA (eV) Method Reference Comment
2.003 ± 0.014LPESNimlos, Davico, et al., 2002 
1.883 ± 0.013LPESNimlos, Davico, et al., 2002 
2.01 ± 0.34D-EAMatimba, Crabbendam, et al., 1992 
1.93 ± 0.34D-EAGrabowski and Melly, 1987Between H2O2 and mCl-toluene
0.80 ± 0.40EIAEHeni and Illenberger, 1986From MeCN
>1.09997EIAETsuda, Yokohata, et al., 1971From MeCN. G3MP2B3 calculations indicate an EA of ca. 2.0 eV.

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.

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

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