[2H3]acetonitrile

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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 compiled as indicated in comments:
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess

Electron affinity determinations

EA (eV) Method Reference Comment
0.01101EFDSuess, Liu, et al., 2003B

Ionization energy determinations

IE (eV) Method Reference Comment
13.14PELake and Thompson, 1970RDSH
15.17PELake and Thompson, 1970RDSH
12.29 ± 0.05EIFranklin, Wada, et al., 1966RDSH
12.23PELake and Thompson, 1970Vertical value; RDSH

Ion clustering 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: Michael M. Meot-Ner (Mautner) and Sharon G. Lias

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

cyclopentadienide anion + C2D3N = (cyclopentadienide anion • C2D3N)

By formula: C5H5- + C2D3N = (C5H5- • C2D3N)

Quantity Value Units Method Reference Comment
Δr64.9kJ/molPHPMSMeot-ner, 1988gas phase
Quantity Value Units Method Reference Comment
Δr95.4J/mol*KPHPMSMeot-ner, 1988gas phase

(cyclopentadienide anion • C2D3N) + C2D3N = (cyclopentadienide anion • 2C2D3N)

By formula: (C5H5- • C2D3N) + C2D3N = (C5H5- • 2C2D3N)

Quantity Value Units Method Reference Comment
Δr54.8kJ/molPHPMSMeot-ner, 1988gas phase; CD3CN
Quantity Value Units Method Reference Comment
Δr95.4J/mol*KPHPMSMeot-ner, 1988gas phase; CD3CN

(cyclopentadienide anion • 2C2D3N) + C2D3N = (cyclopentadienide anion • 3C2D3N)

By formula: (C5H5- • 2C2D3N) + C2D3N = (C5H5- • 3C2D3N)

Quantity Value Units Method Reference Comment
Δr42.7kJ/molPHPMSMeot-ner, 1988gas phase; Entropy change calculated or estimated, ΔrH<, CD3CN
Quantity Value Units Method Reference Comment
Δr92.J/mol*KN/AMeot-ner, 1988gas phase; Entropy change calculated or estimated, ΔrH<, CD3CN

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
21.232.PHPMSMeot-ner, 1988gas phase; Entropy change calculated or estimated, ΔrH<, CD3CN

References

Go To: Top, Gas phase ion energetics data, Ion clustering data, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Suess, Liu, et al., 2003
Suess, L.; Liu, Y.; Parthasarathy, R.; Dunning, F.B., Dipole-bound negative ions: Collisional destruction and blackbody-radiation-induced photodetachment, J. Chem. Phys., 2003, 119, 24, 12890-12894, https://doi.org/10.1063/1.1628215 . [all data]

Lake and Thompson, 1970
Lake, R.F.; Thompson, H., The photoelectron spectra of some molecules containing the C N group, Proc. Roy. Soc. (London), 1970, A317, 187. [all data]

Franklin, Wada, et al., 1966
Franklin, J.L.; Wada, Y.; Natalis, P.; Hierl, P.M., Ion-molecule reactions in acetonitrile and propionitrile, J. Phys. Chem., 1966, 70, 2353. [all data]

Meot-ner, 1988
Meot-ner, M., The Ionic Hydrogen Bond and Solvation. 7. Interaction Energies of Carbanions with Solvent Molecules, J. Am. Chem. Soc., 1988, 110, 12, 3858, https://doi.org/10.1021/ja00220a022 . [all data]


Notes

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