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Propane, 2-bromo-2-methyl-

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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
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

Bromine anion + Propane, 2-bromo-2-methyl- = (Bromine anion bullet Propane, 2-bromo-2-methyl-)

By formula: Br- + C4H9Br = (Br- bullet C4H9Br)

Quantity Value Units Method Reference Comment
Deltar65.3 ± 4.2kJ/molTDAsLi, Ross, et al., 1996gas phase; B
Deltar51.88kJ/molTDAsDougherty, 1974gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar80.8J/mol*KHPMSDougherty, 1974gas phase; M
Quantity Value Units Method Reference Comment
Deltar30.5 ± 0.84kJ/molTDAsLi, Ross, et al., 1996gas phase; B
Deltar28.0kJ/molTDAsDougherty, 1974gas phase; B

Chlorine anion + Propane, 2-bromo-2-methyl- = (Chlorine anion bullet Propane, 2-bromo-2-methyl-)

By formula: Cl- + C4H9Br = (Cl- bullet C4H9Br)

Quantity Value Units Method Reference Comment
Deltar74.1 ± 4.2kJ/molTDAsLi, Ross, et al., 1996gas phase; B
Quantity Value Units Method Reference Comment
Deltar37.2 ± 0.84kJ/molTDAsLi, Ross, et al., 1996gas phase; B

Fluorine anion + Propane, 2-bromo-2-methyl- = (Fluorine anion bullet Propane, 2-bromo-2-methyl-)

By formula: F- + C4H9Br = (F- bullet C4H9Br)

Quantity Value Units Method Reference Comment
Deltar93.3 ± 8.4kJ/molIMRELarson and McMahon, 1983gas phase; B
Quantity Value Units Method Reference Comment
Deltar64.0 ± 8.4kJ/molIMRELarson and McMahon, 1983gas phase; B

Sodium ion (1+) + Propane, 2-bromo-2-methyl- = (Sodium ion (1+) bullet Propane, 2-bromo-2-methyl-)

By formula: Na+ + C4H9Br = (Na+ bullet C4H9Br)

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
57.3298.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.

Li, Ross, et al., 1996
Li, C.; Ross, P.; Szulejko, J.; McMahon, T.B., High-Pressure Mass Spectrometric Investigations of the Potential Energy Surfaces of Gas-Phase Sn2 Reactions., J. Am. Chem. Soc., 1996, 118, 39, 9360, https://doi.org/10.1021/ja960565o . [all data]

Dougherty, 1974
Dougherty, R.C., SN2 reactions in the gas phase. Alkyl group structural effects, Org. Mass Spectrom., 1974, 8, 85. [all data]

Larson and McMahon, 1983
Larson, J.W.; McMahon, T.B., Strong hydrogen bonding in gas-phase anions. An ion cyclotron resonance determination of fluoride binding energetics to bronsted acids from gas-phase fluoride exchange equilibria measurements, J. Am. Chem. Soc., 1983, 105, 2944. [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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