A calix[4]arene strapped calix[4]pyrrole: An ion-pair receptor displaying three different cesium cation recognition modes

Journal of the American Chemical Society

Volumn 132, Issue 16, 2010, Pages 5827-5836

  Kim, Sung Kuk ^a   Sessler, Jonathan L ^a   Gross, Dustin E ^a   Lee, Chang Hee ^b   Kim, Jong Seung ^c   Lynch, Vincent M ^a   Delmau, Lætitia H ^d   Hay, Benjamin P ^d  

^a UNIVERSITY OF TEXAS AT AUSTIN   (United States)

^b Kangwon National University   (South Korea)

^c Korea University   (South Korea)

^d OAK RIDGE NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING MODES; BINDING POCKETS; CALIX[4]ARENES; CALIX[4]PYRROLE; CALIXARENES; CESIUM CATIONS; CESIUM SALTS; CHLORIDE ANIONS; CONTACT ION PAIRS; COUNTERIONS; DIRECT CONTACT; FORCE FIELD MODELS; ION PAIRS; RECEPTOR CAVITIES; RECOGNITION SITE; SINGLE CRYSTAL X-RAY DIFFRACTION ANALYSIS; SOLVENT MIXTURES; SPECTROSCOPIC STUDIES; STRONG ANIONS; X RAY STRUCTURAL ANALYSIS;

BINDING ENERGY; CESIUM; CESIUM ALLOYS; CHLORINE COMPOUNDS; CROWN ETHERS; ETHERS; NITROGEN COMPOUNDS; POSITIVE IONS; POTASSIUM COMPOUNDS; SALTS; SOLVENTS; SPECTROSCOPIC ANALYSIS; SYNTHESIS (CHEMICAL); X RAY DIFFRACTION; X RAY DIFFRACTION ANALYSIS;

CESIUM COMPOUNDS;

BROMINE; CALIX[4]ARENE; CALIX[4]PYRROLE; CALIXARENE; CATION; CESIUM; CHLORIDE; CHLORINE; CROWN ETHER; FLUORIDE; NITRATE; PROTON; PYRROLE DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL STRUCTURE; CRYSTAL STRUCTURE; MOLECULAR RECOGNITION; PROTON NUCLEAR MAGNETIC RESONANCE; RECEPTOR BINDING; SOLID STATE; STRUCTURE ANALYSIS; SYNTHESIS; X RAY DIFFRACTION;

EID: 77952566807     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja100715e     Document Type: Article

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56. 3, anion complexation will produce structures with smaller cone angles. Thus, even though binding within the cup of calix[4]pyrrole might occur to a certain extent (it is not the dominant mode as noted in the text proper), the resulting complexes would lack an optimal geometry for D-for-H exchange. Further tests of these hypotheses are in progress.