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https://hdl.handle.net/2440/17787
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dc.contributor.author | May, B. | - |
dc.contributor.author | Gerber, J. | - |
dc.contributor.author | Clements, P. | - |
dc.contributor.author | Buntine, M. | - |
dc.contributor.author | Brittain, D. | - |
dc.contributor.author | Lincoln, S. | - |
dc.contributor.author | Easton, C. | - |
dc.date.issued | 2005 | - |
dc.identifier.citation | Organic and Biomolecular Chemistry, 2005; 3(8):1481-1488 | - |
dc.identifier.issn | 1477-0520 | - |
dc.identifier.issn | 1477-0539 | - |
dc.identifier.uri | http://hdl.handle.net/2440/17787 | - |
dc.description | © Royal Society of Chemistry | - |
dc.description.abstract | alpha-Cyclodextrin, beta-cyclodextrin, N-(6(A)-deoxy-alpha-cyclodextrin-6(A)-yl)-N'6(A)-deoxy-beta-cyclodextrin-6(A)-yl)urea and N,N-bis(6(A)-deoxy-beta-cyclodextrin-6(A)-yl)urea (alphaCD, betaCD, 1 and 2) form inclusion complexes with E-4-tert-butylphenyl-4'-oxyazobenzene, E-3(-). In aqueous solution at pH 10.0, 298.2 K and I = 0.10 mol dm(-3)(NaClO(4)) spectrophotometric UV-visible studies yield the sequential formation constants: K(11) = (2.83 +/- 0.28) x 10(5) dm(3) mol(-1) for alphaCD.E-(-), K(21) = (6.93 +/- 0.06) x 10(3) dm(3) mol(-1) for (alphaCD)(2).E-3(-), K(11) = (1.24 +/- 0.12) x 10(5) dm(3) mol(-1) for betaCD.E-(-), K(21) = (1.22 +/- 0.06) x 10(4) dm(3) mol(-1) for (betaCD)(2).E-(-), K(11) = (3.08 +/- 0.03) x 10(5) dm(3) mol(-1) for .E-3(-), K(11) = (8.05 +/- 0.63) x 10(4) dm(3) mol(-1) for .E-3(-) and K(12) = (2.42 +/- 0.53) x 10(4) dm(3) mol(-1) for .(E-3(-))(2). (1)H ROESY NMR studies show that complexation of E-3(-) in the annuli of alphaCD, betaCD, 1 and 2 occurs. A variable-temperature (1)H NMR study yields k(298 K)= 6.7 +/- 0.5 and 5.7 +/- 0.5 s(-1), DeltaH = 61.7 +/- 2.7 and 88.1 +/- 4.2 kJ mol(-1) and DeltaS = -22.2 +/- 8.7 and 65 +/- 13 J K(-1) mol(-1) for the interconversion of the dominant includomers (complexes with different orientations of alphaCD) of alphaCD.E-3(-) and (alphaCD)(2).E-3(-), respectively. The existence of E-3(-) as the sole isomer was investigated through an ab initio study. | - |
dc.description.statementofresponsibility | Bruce L. May, Jacobus Gerber, Philip Clements, Mark A. Buntine, David R. B. Brittain, Stephen F. Lincoln and Christopher J. Easton | - |
dc.language.iso | en | - |
dc.publisher | Royal Soc Chemistry | - |
dc.source.uri | http://dx.doi.org/10.1039/b415594g | - |
dc.title | Cyclodextrin and modified cyclodextrin complexes of E-4-tert-butylphenyl-4'-oxyazobenzene: UV-visible, ¹H NMR and ab initio studies | - |
dc.title.alternative | Cyclodextrin and modified cyclodextrin complexes of E-4-tert-butylphenyl-4'-oxyazobenzene: UV-visible, (1)H NMR and ab initio studies | - |
dc.type | Journal article | - |
dc.identifier.doi | 10.1039/b415594g | - |
pubs.publication-status | Published | - |
Appears in Collections: | Aurora harvest 6 Chemistry publications Environment Institute publications |
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