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Volumn 20, Issue 11, 1996, Pages 1183-1194

1,3-Calix[4]-bis-crown-6. Cesium complexation studies by 133Cs- and 1H-NMR spectroscopy. Evidence for mononuclear and binuclear complexes from X-ray diffraction. Modeling of the metal complexation

Author keywords

1,3 calix 4 bis crown 6; 1H and 133Cs NMR; Cesium ion; Ditopic receptors; Metal ligand exchange; Molecular dynamics; Molecular modeling; Mononuclear and binuclear complexes; X ray diffraction

Indexed keywords


EID: 0001715780     PISSN: 11440546     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article
Times cited : (48)

References (55)
  • 23
    • 0003872738 scopus 로고
    • Birmingham, Kynoch Press (Present distributor: Kluwer, Dordrecht, The Netherlands)
    • International Tables for X-ray Crystallography, Vol. IV, Birmingham, Kynoch Press (Present distributor: Kluwer, Dordrecht, The Netherlands), 1974.
    • (1974) International Tables for X-ray Crystallography , vol.4
  • 35
    • 0001656678 scopus 로고
    • 133Cs-NMR has been widely used to study the complexation of cesium by crown ethers and cryptates: Kaufmann E., Dye J., Lehn J. M., Popov A. I., J. Am. Chem. Soc., 1980, 102, 2274 and references therein.
    • (1980) J. Am. Chem. Soc. , vol.102 , pp. 2274
    • Kaufmann, E.1    Dye, J.2    Lehn, J.M.3    Popov, A.I.4
  • 36
    • 0003653439 scopus 로고
    • Oak Ridge National Laboratory, Tennessee, USA
    • Johnson C. K., ORTEPII, Report ORNL-5138. Oak Ridge National Laboratory, Tennessee, USA, 1976.
    • (1976) ORTEPII, Report ORNL-5138
    • Johnson, C.K.1
  • 55
    • 27844442842 scopus 로고    scopus 로고
    • note
    • In the "belly" option, a harmonic force constraint of 50 kcal is used to freeze the solute motion, thus allowing solvent relaxation. The constraint is then removed and the MD run performed on the whole system.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.