Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

HCNN anion


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

CHN2- + Hydrogen cation = Methane, diazo-

By formula: CHN2- + H+ = CH2N2

Quantity Value Units Method Reference Comment
Deltar371.4 ± 2.2kcal/molG+TSClifford, Wenthold, et al., 1998gas phase; Lit values of DfH(H2CNN) range from 71 (78BEN) to 51 ( Laufer and Okabe, 1972). Here we use the computational ( Dixon, de Jong, et al., 2005) agreeing with G3MP2B3
Quantity Value Units Method Reference Comment
Deltar364.1 ± 2.0kcal/molIMREClifford, Wenthold, et al., 1998gas phase; Lit values of DfH(H2CNN) range from 71 (78BEN) to 51 ( Laufer and Okabe, 1972). Here we use the computational ( Dixon, de Jong, et al., 2005) agreeing with G3MP2B3
Deltar365.0 ± 4.0kcal/molIMRBDePuy, Van Doren, et al., 1989gas phase; Near HF, between H2O2 & acetone. G2 calculations( Gordon and Kass, 1997) give «DELTA»Hf(CH2N2)=63.1 kcal/mol

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

Electron affinity of neutral species

EAneutral (eV) Method Reference Comment
1.6840 ± 0.0060LPESClifford, Wenthold, et al., 1998 

Protonation reactions

CHN2- + Hydrogen cation = Methane, diazo-

By formula: CHN2- + H+ = CH2N2

Quantity Value Units Method Reference Comment
Deltar371.4 ± 2.2kcal/molG+TSClifford, Wenthold, et al., 1998gas phase; Lit values of DfH(H2CNN) range from 71 (78BEN) to 51 ( Laufer and Okabe, 1972). Here we use the computational ( Dixon, de Jong, et al., 2005) agreeing with G3MP2B3
Quantity Value Units Method Reference Comment
Deltar364.1 ± 2.0kcal/molIMREClifford, Wenthold, et al., 1998gas phase; Lit values of DfH(H2CNN) range from 71 (78BEN) to 51 ( Laufer and Okabe, 1972). Here we use the computational ( Dixon, de Jong, et al., 2005) agreeing with G3MP2B3
Deltar365.0 ± 4.0kcal/molIMRBDePuy, Van Doren, et al., 1989gas phase; Near HF, between H2O2 & acetone. G2 calculations( Gordon and Kass, 1997) give «DELTA»Hf(CH2N2)=63.1 kcal/mol

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.

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]

Laufer and Okabe, 1972
Laufer, A.H.; Okabe, H., J. Phys. Chem., 1972, 76, 3504. [all data]

Dixon, de Jong, et al., 2005
Dixon, D.A.; de Jong, W.A.; Peterson, K.A.; McMahon, T.B., Methyl cation affinities of rare gases and nitrogen and the heat of formation of diazomethane, J. Phys. Chem. A, 2005, 109, 18, 4073-4080, https://doi.org/10.1021/jp044561e . [all data]

DePuy, Van Doren, et al., 1989
DePuy, C.H.; Van Doren, J.M.; Gronert, S.; Kass, S.R.; Motell, E.L.; Ellison, G.B.; Bierbaum, V.M., Gas-Phase Negative-Ion Chemistry of Diazomethane, J. Org. Chem., 1989, 54, 8, 1846, https://doi.org/10.1021/jo00269a020 . [all data]

Gordon and Kass, 1997
Gordon, M.S.; Kass, S.R., CHN2-: A biradical anion and a potentially new type of reactive intermediate (vol 99, pg 6548, 1995), J. Phys. Chem. A, 1997, 101, 42, 7922-7922, https://doi.org/10.1021/jp972321b . [all data]


Notes

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, References