The inverted cucurbit[n]uril family

Journal of the American Chemical Society

Volumn 127, Issue 51, 2005, Pages 18000-18001

  Isaacs, Lyle ^a   Park, Sang Kyu ^b,d   Liu, Simin ^a   Ko, Young Ho ^b   Selvapalam, Narayanan ^b   Kim, Youngkook ^b   Kim, Hyunuk ^b   Zavalij, Peter Y ^a   Kim, Ghyung Hwa ^c   Lee, Heung Soo ^c   Kim, Kimoon ^b  

^a Bldg 142   (United States)

^b Pohang University of Science and Technology (POSTECH)   (South Korea)

^c POSTECH   (South Korea)

^d Chonbuk National University   (South Korea)

Author keywords

[No Author keywords available]

Indexed keywords

CUCURBIT[6]URIL; CUCURBIT[7]URIL; MACROCYCLIC COMPOUND; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL ANALYSIS; DIASTEREOISOMER; KINETICS; PROTON NUCLEAR MAGNETIC RESONANCE; SUPRAMOLECULAR CHEMISTRY; THERMODYNAMICS;

BRIDGED COMPOUNDS; CRYSTALLOGRAPHY, X-RAY; IMIDAZOLES; KINETICS; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, MOLECULAR; THERMODYNAMICS;

EID: 29844456139     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja056988k     Document Type: Article

References (21)

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20. Host-guest complexes of iCB[n] are kinetically more labile than those of CB[H]. For example, the exchange of 2 in and out of the cavity of CB[7] is slow on the NMR time scale, whereas that of iCB[7] is fast (Figure S17).
21. A preliminary ab initio calculation (using B3LYP, 3-21G basis set) suggests that there is little difference (∼1.5 kcal/mol) in energy between normal and inverted CB[n] (H = 6 and 7). A higher level calculation is in progress.