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Volumn 7, Issue 20, 2001, Pages 4403-4410

Molecular motions within self-assembled dimeric capsules with tetraethylammonium cations as guest

Author keywords

Calixarenes; Conformation analysis; Molecular dynamics; NMR spectroscopy; Self assembly

Indexed keywords

BENZENE; HYDROGEN BONDS; NUCLEAR MAGNETIC RESONANCE; UREA;

EID: 0035887344     PISSN: 09476539     EISSN: None     Source Type: Journal    
DOI: 10.1002/1521-3765(20011015)7:20<4403::AID-CHEM4403>3.0.CO;2-J     Document Type: Article
Times cited : (73)

References (61)
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    • note
    • 1H NMR spectrum was published in ref. [8a], from which the dimeric structure of the complex can be hardly deduced.
  • 36
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    • note
    • -3 M); a half-life time of about 15 min could be estimated at room temperature.
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    • note
    • This is in agreement with selectivities observed in ESI-MS studies, see ref. [8a].
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    • note
    • c = 298 K) can be estimated from preliminary measurements for the reorientation of the hydrogen bonded belt. This indicates, that obviously already the positive charge of the guest lowers the energy barrier for the passage of the carbonyl group through the interior of the capsule. Studies for a series of cations with different size are in progress.
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    • note
    • In the same temperature range the up-field signal at δ = -3.15 shifts further to δ = - 3.44.
  • 42
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    • note
    • 2-symmetry similar to the spectrum reported in ref. [11].
  • 43
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    • note
    • Alternatively the NH hydrogen atoms could pass the interior which intuitively is less likely with a cationic guest.
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    • note
    • For the estimation of the cavity volume see ref. [7].
  • 46
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  • 47
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    • note
    • Tetraethylsilane, as a non-charged model for the tetraalkylammonium cation is not included as guest.
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    • note
    • Results of the PMF calculations will be published in due course.
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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.