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Volumn 45, Issue 18, 2006, Pages 2929-2934

o-iodoxybenzoic acid (IBX): pKa and proton-affinity analysis

Author keywords

Acidity; Density functional calculations; o iodoxybenzoic acid; Oxidation; Proton affinity

Indexed keywords

ACIDITY; BENZENE; IODINE; OXIDATION; PROTONS; SYNTHESIS (CHEMICAL);

EID: 33746068471     PISSN: 14337851     EISSN: None     Source Type: Journal    
DOI: 10.1002/anie.200504156     Document Type: Article
Times cited : (49)

References (91)
  • 11
    • 0003579937 scopus 로고    scopus 로고
    • (Ed.: A. Varvoglis), Academic Press, San Diego
    • g) Hypervalent Iodine in Organic Synthesis (Ed.: A. Varvoglis), Academic Press, San Diego, 1996, p. 256.
    • (1996) Hypervalent Iodine in Organic Synthesis , pp. 256
  • 43
    • 33746232172 scopus 로고    scopus 로고
    • note
    • [29] in the basis set. Thus, although diffuse functions clearly help describe the anion better, results similar to experimental values can be obtained without them. In the following discussion, the B3LYP/LANL2dz + p results with zero-point energy corrections will be used. The PW91 calculations for the DMSO and NMO complexes suffer from the known weakness of PW91 in describing hydrogen bonds and overestimate the stability of direct interactions with the iodine.
  • 56
    • 0346567639 scopus 로고
    • (Eds.: J. F. Coetzee, C. D. Ritchie), Dekker, New-York
    • c) C. D. Ritchie in Solute-Solvent Interactions (Eds.: J. F. Coetzee, C. D. Ritchie), Dekker, New-York, 1966, p. 216;
    • (1966) Solute-Solvent Interactions , pp. 216
    • Ritchie, C.D.1
  • 62
    • 33746204299 scopus 로고    scopus 로고
    • note
    • For the UV/Vis spectra in Figures 1 and 2, the observed variations at λ < 350-380 nm have no significance as they reflect the absorbance of the IBX buffer.
  • 65
    • 33746204297 scopus 로고    scopus 로고
    • note
    • [39b] the contribution of homoconjugation to the IBX system can only be minor.
  • 74
    • 0003645051 scopus 로고
    • Interscience Encyclopedia, Inc., New York
    • a of iodic acid see: Kolthoff, Treatise on Analytical Chemistry, Interscience Encyclopedia, Inc., New York, 1959.
    • (1959) Treatise on Analytical Chemistry
    • Kolthoff1
  • 86
    • 0011477841 scopus 로고
    • (Eds.: D. R. Salahub, M. C. Zerner), American Chemical Society, Washington, D.C., chap. 12
    • A. D. Becke in The Challenge of d- and f-Electrons: Theory and Computation (Eds.: D. R. Salahub, M. C. Zerner), American Chemical Society, Washington, D.C., 1989, chap. 12, pp. 165-179.
    • (1989) The Challenge of D- and F-Electrons: Theory and Computation , pp. 165-179
    • Becke, A.D.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.