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3-Chlorobenzyl alcohol


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:
B - John E. Bartmess
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard

Ionization energy determinations

IE (eV) Method Reference Comment
8.51EIRussell, Freiser, et al., 1983LBLHLM

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C6H7+10.00?EIRussell, Freiser, et al., 1983LBLHLM
C7H7O+9.33ClEIRussell, Freiser, et al., 1983LBLHLM

De-protonation reactions

C7H6ClO- + Hydrogen cation = 3-Chlorobenzyl alcohol

By formula: C7H6ClO- + H+ = C7H7ClO

Quantity Value Units Method Reference Comment
Deltar1523. ± 8.8kJ/molG+TSMustanir, Than, et al., 2005gas phase; B
Quantity Value Units Method Reference Comment
Deltar1495. ± 8.4kJ/molIMREMustanir, Than, et al., 2005gas phase; B

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.

Russell, Freiser, et al., 1983
Russell, D.H.; Freiser, B.S.; McBay, E.H.; Canada, D.C., The structure of decomposing [C7H7O]+ ions: Benzyl versus tropylium ion structures, Org. Mass Spectrom., 1983, 18, 474. [all data]

Mustanir, Than, et al., 2005
Mustanir; Than, S.; Mishima, M., Substituent effects on the gas phase acidity of phenylacetylenes and benzyl alcohols, Bull. Chem. Soc. Japan, 2005, 78, 1, 147-153, https://doi.org/10.1246/bcsj.78.147 . [all data]


Notes

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