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Furan

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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:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
RCD - Robert C. Dunbar

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

C4H4O+ + Furan = (C4H4O+ bullet Furan)

By formula: C4H4O+ + C4H4O = (C4H4O+ bullet C4H4O)

Quantity Value Units Method Reference Comment
Deltar17.2kcal/molPHPMSHiraoka, Takimoto, et al., 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar23.7cal/mol*KPHPMSHiraoka, Takimoto, et al., 1987gas phase; M

(C4H4O+ bullet Furan) + Furan = (C4H4O+ bullet 2Furan)

By formula: (C4H4O+ bullet C4H4O) + C4H4O = (C4H4O+ bullet 2C4H4O)

Quantity Value Units Method Reference Comment
Deltar7.kcal/molPHPMSHiraoka, Takimoto, et al., 1987gas phase; «DELTA»rH<; M

C4H5O+ + Furan = (C4H5O+ bullet Furan)

By formula: C4H5O+ + C4H4O = (C4H5O+ bullet C4H4O)

Bond type: Hydrogen bonds of the type OH-O between organics

Quantity Value Units Method Reference Comment
Deltar10.kcal/molPHPMSHiraoka, Takimoto, et al., 1987gas phase; «DELTA»rH<; M
Deltar19.kcal/molPHPMSMeot-Ner (Mautner), Ross, et al., 1985gas phase; Entropy change calculated or estimated, «DELTA»rH<; M
Quantity Value Units Method Reference Comment
Deltar32.cal/mol*KN/AMeot-Ner (Mautner), Ross, et al., 1985gas phase; Entropy change calculated or estimated, «DELTA»rH<; M

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
6.6382.PHPMSMeot-Ner (Mautner), Ross, et al., 1985gas phase; Entropy change calculated or estimated, «DELTA»rH<; M

Sodium ion (1+) + Furan = (Sodium ion (1+) bullet Furan)

By formula: Na+ + C4H4O = (Na+ bullet C4H4O)

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
11.7298.IMREMcMahon and Ohanessian, 2000Anchor alanine=39.89; RCD

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.

Hiraoka, Takimoto, et al., 1987
Hiraoka, K.; Takimoto, H.; Yamabe, S., Stabilities and Structures in Cluster Ions of Five-Membered Heterocyclic Compounds Containing O, N and S Atoms, J. Am. Chem. Soc., 1987, 109, 24, 7346, https://doi.org/10.1021/ja00258a018 . [all data]

Meot-Ner (Mautner), Ross, et al., 1985
Meot-Ner (Mautner), M.; Ross, M.M.; Campana, J.E., Stable Hydrogen - Bonded Isomers of Covalent Ions, J. Am. Chem. Soc., 1985, 107, 4835. [all data]

McMahon and Ohanessian, 2000
McMahon, T.B.; Ohanessian, G., An Experimental and Ab Initio Study of the Nature of the Binding in Gas-Phase Complexes of Sodium Ions, Chem. Eur. J., 2000, 6, 16, 2931, https://doi.org/10.1002/1521-3765(20000818)6:16<2931::AID-CHEM2931>3.0.CO;2-7 . [all data]


Notes

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