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Volumn 128, Issue 6, 2006, Pages 1922-1936

Electroreduction of a series of alkylcobalamins: Mechanism of stepwise reductive cleavage of the Co-C bond

Author keywords

[No Author keywords available]

Indexed keywords

CARBON; CHEMICAL BONDS; COBALT; COMPUTER SIMULATION; DISSOCIATION; ELECTROCHEMISTRY; ELECTRODES; ELECTROLYTIC REDUCTION; ENTHALPY; FREE RADICALS; NEGATIVE IONS; ORGANIC SOLVENTS; SODIUM COMPOUNDS;

EID: 33244469516     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja054479c     Document Type: Article
Times cited : (66)

References (81)
  • 1
    • 85009427242 scopus 로고    scopus 로고
    • Banerjee, R., Ed.; John Wiley & Sons: New York
    • 12; Banerjee, R., Ed.; John Wiley & Sons: New York. 1999: p104.
    • (1999) 12 , pp. 104
    • Pratt, J.M.1
  • 42
    • 33244483764 scopus 로고    scopus 로고
    • note
    • PM3 geometric optimization on the entire Me-Cbl molecule, which gives accurate nuclear coordinates comparable with those obtained from DFT calculations, indicates that the bond distance change on going to the radical anion is <0.01 A for Co-C and <0.02-0.04 A for ring Co-N and Co-N in the DBz.
  • 43
    • 0001195297 scopus 로고
    • o]. We have left out ΔG° in this expression so that the i-V expression is truly linearized and α in the Frumkin correction is defined the same way as α in the exponential terms for electrode potential in the Butler-Volmer equation.
    • (1975) J. Am. Chem. Soc. , vol.97 , pp. 6317
    • Kojima, H.1    Bard, A.J.2
  • 59
    • 33244455348 scopus 로고    scopus 로고
    • note
    • A DFT calculation for a model 1 structure with R = 5′-deoxy- 5′-adenosyl but with dimethylbenzimidazole as the base gives 1.992 Å as the Co-C bond distance.
  • 61
    • 33244496095 scopus 로고    scopus 로고
    • note
    • This value was measured at ambient temperature from the CV of aquocobalamin (0.50 mM in 0.2 M TBAF) on a Hg drop from the average of the cathodic and anodic peak potentials in DMF and methanol (40:60) at a scan rule of 5 mV/s.
  • 63
    • 0000767606 scopus 로고
    • -1 has been used for bond dissociation enthalpy calculations in isooctane solution: Castelhano. A. L.; Griller, D. J. Am. Chem. Soc. 1982. 104, 3655-3659.
    • (1982) J. Am. Chem. Soc. , vol.104 , pp. 3655-3659
    • Castelhano, A.L.1    Griller, D.2
  • 65
    • 33244469399 scopus 로고    scopus 로고
    • note
    • - + Me is found by assuming that Cbl moieties cancel out and using 46.4 eu for the methyl radical.
  • 70
    • 33244460962 scopus 로고    scopus 로고
    • Banerjee, R., Ed.; John Wiley & Sons: New York
    • 12; Banerjee, R., Ed.; John Wiley & Sons: New York, 1999; p 156.
    • (1999) 12 , pp. 156
    • Pratt, J.M.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.