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Volumn 64, Issue 16, 1999, Pages 6097-6101

Synthesis of 3-hydroxy-2-pyridinone derivatives of 4-tert- butylcalix[4]arenes: A new class of selective extractants of actinide(IV) ions

Author keywords

[No Author keywords available]

Indexed keywords

3 HYDROXY 2 PYRIDINONE; 4 TERT BUTYLCALIX[4]ARENE; ACTINIDE; POLYCYCLIC AROMATIC HYDROCARBON; PYRIDINE DERIVATIVE; UNCLASSIFIED DRUG;

EID: 0033529813     PISSN: 00223263     EISSN: None     Source Type: Journal    
DOI: 10.1021/jo990387s     Document Type: Article
Times cited : (41)

References (42)
  • 1
    • 1542525113 scopus 로고    scopus 로고
    • Metal-Ion Separation and Preconcentration
    • American Chemical Society: Washington, DC
    • Metal-Ion Separation and Preconcentration; Bond, A. H., Dietz, M. L., Rogers, R. D., Eds.; ACS Symposium Series 716; American Chemical Society: Washington, DC, 1999.
    • (1999) ACS Symposium Series , vol.716
    • Bond, A.H.1    Dietz, M.L.2    Rogers, R.D.3
  • 4
    • 0004146786 scopus 로고
    • Royal Society of Chemistry: Cambridge
    • For some recent reviews on calixarenes, see: (a) Gutsche, C. D. Calixarenes; Royal Society of Chemistry: Cambridge, 1989.
    • (1989) Calixarenes
    • Gutsche, C.D.1
  • 35
    • 0344897929 scopus 로고    scopus 로고
    • note
    • In the molecular modeling of 1 using CAChe Mechanics program, the distances between the amide proton of one ligand chain and the carbonyl oxygen of the proximal amide were found to be between 2.01 and 2.22 Å and are consistent with strong hydrogen-bonding interactions. Additionally, a similar type of interstrand hydrogen-bonding network was indicated between the hydroxypyridinone groups on adjacent chains. The molecular modeling dynamics simulations of calixarene 2 indicated that there were a large number of structures with potential energies comparable to that of the lowest energy structure identified. This suggests that the ligand arms of 2 show little preorganization in absence of an alkali metal ion. The MM2 force field used by the CAChe Mechanics program utilizes augmented parameters to accommodate atoms and interactions not explicitly defined by MM2. This "augmented" MM2 parameter set was used without modification.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.