1,3-Cyclopentadiene

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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 as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias

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Clustering reactions

cyclopentadienide anion + 1,3-Cyclopentadiene = (cyclopentadienide anion • 1,3-Cyclopentadiene)

By formula: C5H5- + C5H6 = (C5H5- • C5H6)

Quantity Value Units Method Reference Comment
Δr<8.60kcal/molIMRBMeot-ner, 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Δr20.cal/mol*KN/AMeot-ner, 1988gas phase; Entropy change calculated or estimated, DG<, ΔrH<; M
Quantity Value Units Method Reference Comment
Δr<2.6 ± 1.0kcal/molIMRBMeot-ner, 1988gas phase; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
3.6250.PHPMSMeot-ner, 1988gas phase; Entropy change calculated or estimated, DG<, ΔrH<; M

Chlorine anion + 1,3-Cyclopentadiene = (Chlorine anion • 1,3-Cyclopentadiene)

By formula: Cl- + C5H6 = (Cl- • C5H6)

Quantity Value Units Method Reference Comment
Δr<2.50kcal/molTDEqFrench, Ikuta, et al., 1982gas phase; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
2.5300.PHPMSFrench, Ikuta, et al., 1982gas phase; DG<; M

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.

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]

French, Ikuta, et al., 1982
French, M.A.; Ikuta, S.; Kebarle, P., Hydrogen bonding of O-H and C-H hydrogen donors to Cl-. Results from mass spectrometric measurement of the ion-molecule equilibria RH + Cl- = RHCl-, Can. J. Chem., 1982, 60, 1907. [all data]


Notes

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