The Aqueous and Acetonitrile Bond Dissociation Free Energies of N-Hydroxyphthalimide

被引：1

作者：

Gerken, James B. ^{[1
]}

Goes, Shannon L. ^{[1
,2
]}

Piszel, Paige E. ^{[1
]}

Al Abdulghani, Abdullah J. ^{[3
]}

Hermans, Ive ^{[1
,2
,3
]}

Stahl, Shannon S. ^{[1
,2
]}

机构：

[1] Univ Wisconsin, Dept Chem, Madison, WI 53706 USA

[2] Wisconsin Energy Inst, Madison, WI 53726 USA

[3] Univ Wisconsin, Dept Chem & Biol Engn, Madison, WI 53706 USA

来源：

JOURNAL OF ORGANIC CHEMISTRY | 2024年 / 89卷 / 21期

关键词：

BENZYL ALCOHOLS; OXIDATION; POTENTIALS; CARBON; OXYGEN; NHPI;

D O I：

10.1021/acs.joc.4c01734

中图分类号：

O62 [有机化学];

学科分类号：

070303 ; 081704 ;

摘要：

Widely cited values of 89 and 90.9 kcal/mol for the bond-dissociation free energy of N-hydroxyphthalimide (NHPI) in water and acetonitrile, respectively, are in error. The sources of the errors leading to these values have been explored and corrected. The corrected values are confirmed through new experiments in aqueous and acetonitrile media and are found to be 84.4 +/- 0.1 and 80.04 +/- 0.06 kcal/mol, respectively.

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页码：16010 / 16014

页数：5

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