[2H3]acetonitrile

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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
Δr15.5kcal/molPHPMSMeot-ner, 1988gas phase
Quantity Value Units Method Reference Comment
Δr22.8cal/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
Δr13.1kcal/molPHPMSMeot-ner, 1988gas phase; CD3CN
Quantity Value Units Method Reference Comment
Δr22.8cal/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
Δr10.2kcal/molPHPMSMeot-ner, 1988gas phase; Entropy change calculated or estimated, ΔrH<, CD3CN
Quantity Value Units Method Reference Comment
Δr22.cal/mol*KN/AMeot-ner, 1988gas phase; Entropy change calculated or estimated, ΔrH<, CD3CN

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
5.1232.PHPMSMeot-ner, 1988gas phase; Entropy change calculated or estimated, ΔrH<, CD3CN

References

Go To: Top, Ion clustering data, Notes

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

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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