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Volumn 17, Issue 1, 2011, Pages 312-321

Aromatic and aliphatic CH hydrogen bonds fight for chloride while competing alongside ion pairing within triazolophanes

Author keywords

anions; macrocycles; molecular modeling; receptors; supramolecular chemistry

Indexed keywords

ANIONS; BINDING EQUILIBRIA; BINDING MODELS; CHLORIDE BINDING; CHLORIDE COMPLEXES; CHLORIDE IONS; CONFIGURATIONAL ENTROPY; DIFFUSION NMR; ENTHALPY-ENTROPY COMPENSATION; EXPERIMENTAL ERRORS; FREE ENERGY OF BINDING; GASPHASE; H NMR SPECTROSCOPY; HYDROGEN-BOND DONORS; ION PAIRING; LOW-ENERGY CONFORMATIONS; MACROCYCLES; NMR SPECTROSCOPY; RECEPTOR BINDING; RECEPTORS; SELF-CONSISTENT MODEL; TETRABUTYL-AMMONIUM CHLORIDE;

EID: 78650986118     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.201002340     Document Type: Article
Times cited : (96)

References (112)
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    • Some nongeneral ways have been used to quantify ion pairs, see
    • Some nongeneral ways have been used to quantify ion pairs, see
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    • note
    • - contacts is weighted by 40 %. Consequently, the 0.2 ppm shift represents only 29.5 % of the methylene protons engaged in the hydrogen bonding. Therefore, this 0.2 ppm can be scaled by 1/29.5 %=0.7 ppm.
  • 103
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    • note
    • h. However, it is worthwhile to point out that the magnitude of signal migrations might not be solely dependent on the contact distance.
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    • + (see the Supporting Information).
    • + (see the Supporting Information).
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    • Such types of shielding is also evidenced from the crystal structure of a similar salt, see Cambridge Structure Database, refcode: ERAPIW.
    • Such types of shielding is also evidenced from the crystal structure of a similar salt, see Cambridge Structure Database, refcode: ERAPIW.
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    • - is less insightful on account of significant signal broadening.
    • - is less insightful on account of significant signal broadening.
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    • note
    • -. Formation of iodide sandwich with triazolophanes has been seen before, see reference [8c].
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    • note
    • + had no effect on the outcome of the fitting.
  • 110
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    • [8a] was not applicable for HypNMR fitting on account of significant signal broadening.
    • [8a] was not applicable for HypNMR fitting on account of significant signal broadening.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.