Cyanamide

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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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
LL - Sharon G. Lias and Joel F. Liebman
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

View reactions leading to CH2N2+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)10.4eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)805.6kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity774.9kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
10.4PEGuimon, Khayar, et al., 1989LL
10.4PEStafast and Bock, 1974LLK
10.65PEStafast and Bock, 1974Vertical value; LLK

De-protonation reactions

CHN2- + Hydrogen cation = Cyanamide

By formula: CHN2- + H+ = CH2N2

Quantity Value Units Method Reference Comment
Δr1467. ± 9.6kJ/molG+TSKoppel, Taft, et al., 1994gas phase; DH: 99±3, 97BOR/JI 2; B
Δr1461. ± 12.kJ/molG+TSCacace, Depetris, et al., 1993gas phase; B
Δr1472. ± 13.kJ/molG+TSKroeker and Kass, 1990gas phase; Between tBuSH, HOAc; B
Quantity Value Units Method Reference Comment
Δr1440. ± 8.4kJ/molIMREKoppel, Taft, et al., 1994gas phase; DH: 99±3, 97BOR/JI 2; B
Δr1433. ± 10.kJ/molIMRECacace, Depetris, et al., 1993gas phase; B
Δr1445. ± 13.kJ/molIMRBKroeker and Kass, 1990gas phase; Between tBuSH, HOAc; B

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.

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Guimon, Khayar, et al., 1989
Guimon, C.; Khayar, S.; Gracian, F.; Begtrup, M.; Pfister-Guillouzo, G., HeI photoelectron and theoretical study of the gas phase flash pyrolysis of tetrazole and analysis of CN2H2 energy hypersurface, Chem. Phys., 1989, 138, 157. [all data]

Stafast and Bock, 1974
Stafast, H.; Bock, H., Photoelektronenspektren und Molekuleigenschaften, XXXIV. Cyanamid, Chem. Ber., 1974, 107, 1882. [all data]

Koppel, Taft, et al., 1994
Koppel, I.A.; Taft, R.W.; Anvia, F.; Zhu, S.Z.; Hu, L.Q.; Sung, K.S.; Desmarteau, D.D.; Yagupolskii, L.M., The Gas-Phase Acidities of Very Strong Neutral Bronsted Acids, J. Am. Chem. Soc., 1994, 116, 7, 3047, https://doi.org/10.1021/ja00086a038 . [all data]

Cacace, Depetris, et al., 1993
Cacace, F.; Depetris, G.; Grandinetti, F.; Occhiucci, G., Gas-Phase Ion Chemistry of Cyanamide - A Mass Spectrometric and Abinitio Study of Gaseous [H2N-CN]+, [H2N-CN]H+, and [HN-CN]- Ions, J. Phys. Chem., 1993, 97, 16, 4239, https://doi.org/10.1021/j100118a048 . [all data]

Kroeker and Kass, 1990
Kroeker, R.L.; Kass, S.R., Diazirinyl Anion: A Cyclic 4-pi Electron System, J. Am. Chem. Soc., 1990, 112, 24, 9024, https://doi.org/10.1021/ja00180a082 . [all data]


Notes

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