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Volumn 79, Issue 20, 2014, Pages 9451-9454

Preparation, structural characterization, and thermochemistry of an isolable 4-arylphenoxyl radical

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; ELECTRON SPIN RESONANCE SPECTROSCOPY; FREE ENERGY; PHENOLS;

EID: 84908231562     PISSN: 00223263     EISSN: 15206904     Source Type: Journal    
DOI: 10.1021/jo501531a     Document Type: Article
Times cited : (18)

References (35)
  • 10
    • 84908238742 scopus 로고    scopus 로고
    • see ref 4
    • see ref 4.
  • 28
    • 84908246704 scopus 로고    scopus 로고
    • note
    • Average torsion angle refers to the average dihedral angle measured for atoms C3-C4-C7-C8 and C5-C4-C7-C12.
  • 29
    • 84908223772 scopus 로고    scopus 로고
    • note
    • EPR hyperfine coupling constants reported have an assumed error margin of ∼±0.05 G.
  • 30
    • 84908237328 scopus 로고    scopus 로고
    • note
    • The correlation in ref 9a used bond dissociation enthalpies (BDEs), which were determined from equilibration experiments. ΔBDE values were obtained from these equilibrium constants and then converted to BDEs using a gas-phase BDE of tBu3ArO-H. Here, we take their equilibrium constants to be ΔBDFEs and scale them to the reported BDFE of tBu3ArO-H in benzene.3
  • 32
    • 84908230286 scopus 로고    scopus 로고
    • note
    • (b) Values reported in (a): E1/2 (tBu2PhArO•-) = - 0.014 V; E1/2(tBu3ArO•-) = -0.059 V (both vs Ag/AgCl; in 9:1 MeCN/H2O; 0.01m [Me4N+][OH-], 0.01m [Me4N+][Cl-]).
  • 33
    • 84908230155 scopus 로고    scopus 로고
    • note
    • The pKa of tBu2PhArO-H is taken to be roughly equal to the pKa of tBu3ArO-H (∼28 in MeCN; ref 3) since their BDFEs and E° are roughly equivalent.
  • 34
    • 84908245060 scopus 로고    scopus 로고
    • note
    • CG is a constant that contains the free energy of formation of H, free energy of solvation of H, as well as the nature of the electrode. In MeCN, CG = 54.9 kcal mol-1. A more detailed description can be found in ref 3.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.