Academic literature on the topic 'Aromatic anion inclusion'

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Journal articles on the topic "Aromatic anion inclusion"

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Boland, Patricia G., Sara J. Accardi, Carrie A. Snow, and Brian D. Wagner. "Investigations of the supramolecular host properties of a fluorescent bistren cage compound." Canadian Journal of Chemistry 87, no. 2 (February 2009): 448–52. http://dx.doi.org/10.1139/v08-179.

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The host properties of a bistren cage compound, previously reported to be an efficient anion sensor, are shown to include encapsulation of small aromatic guest molecules. It is also shown that the intrinsic fluorescence of this cage compound, arising from the anthracenyl moiety in its structure, is sensitive to the encapsulation of aromatic guests in aqueous solution and can be used to measure the binding constants for any such guest. This makes this bistren cage a rare example of a fluorescent host for aromatic guests, and suggests potential applications of this compound as a versatile fluorescent sensor for a variety of guests of interest. The binding of a number of benzene derivatives was studied; these were all found to form 1:2 host–guest inclusion complexes with a wide range in total binding constants (K1K2), from 6.4 × 103 to 3.5 × 107 (mol/L)–2, indicating a significant degree of selectivity for different benzene derivatives. The binding strength was found to depend on both the guest polarity and aqueous solubility.
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Smith, Christopher B., Ashley K. W. Stephens, Kia S. Wallwork, Stephen F. Lincoln, Max R. Taylor, and Kevin P. Wainwright. "Metal Ion-Dependent Molecular Inclusion Chemistry: Inclusion of Aromatic Anions by Coordinated 1,4,7,10-Tetrakis((S)-2-hydroxy-3-phenoxypropyl)-1,4,7,10-tetraazacyclododecane." Inorganic Chemistry 41, no. 5 (March 2002): 1093–100. http://dx.doi.org/10.1021/ic010694s.

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Sgarlata, Carmelo, Carmela Bonaccorso, Fabio Giuseppe Gulino, Valeria Zito, Giuseppe Arena, and Domenico Sciotto. "Inclusion of aromatic and aliphatic anions into a cationic water-soluble calix[4]arene at different pH values." Tetrahedron Letters 50, no. 14 (April 2009): 1610–13. http://dx.doi.org/10.1016/j.tetlet.2009.01.100.

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Kaduk, James A., Joel W. Reid, Kai Zhong, Amy M. Gindhart, and Thomas N. Blanton. "Crystal structure of solifenacin hydrogen succinate, C23H27N2O2(HC4H4O4)." Powder Diffraction 30, no. 3 (August 12, 2015): 211–17. http://dx.doi.org/10.1017/s0885715615000329.

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The crystal structure of solifenacin hydrogen succinate [C23H27N2O2(HC4H4O4)] has been solved and refined using synchrotron X-ray powder diffraction data, and optimized using density functional techniques. Solifenacin hydrogen succinate crystallizes in space group P21 (#4) with a = 6.477 03(2), b = 7.830 95(2), c = 23.848 72(7) Å, β = 90.2373(3)°, V = 1209.63(1) Å3, and Z = 2. The hydrogen succinate anions form a chain linked by strong hydrogen bonds parallel to the a-axis. Discrete N–H···O hydrogen bonds lie on the sides of this chain, resulting in a layer parallel to the ab-plane rich in hydrogen bonds. Halfway between these layers the molecules meet in a herringbone packing of aromatic rings. The powder pattern has been submitted to ICDD for inclusion in future releases of the Powder Diffraction File™.
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Xu, Zhaochao, N. Jiten Singh, Sook Kyung Kim, David R. Spring, Kwang S. Kim, and Juyoung Yoon. "Induction-Driven Stabilization of the Anion-π Interaction in Electron-Rich Aromatics as the Key to Fluoride Inclusion in Imidazolium-Cage Receptors." Chemistry - A European Journal 17, no. 4 (December 13, 2010): 1163–70. http://dx.doi.org/10.1002/chem.201002105.

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Terekhova, Irina, Ekaterina Chibunova, Roman Kumeev, and Gennady Alper. "Role of biologically active inorganic anions Cl− and Br− in inclusion complex formation of α-cyclodextrin with some aromatic carboxylic acids." Chemical Physics Letters 557 (February 2013): 134–39. http://dx.doi.org/10.1016/j.cplett.2012.12.007.

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Smith, Christopher B., Mark A. Buntine, Stephen F. Lincoln, Max R. Taylor, and Kevin P. Wainwright. "Structure of the Molecular Receptor 1,4,7,10-Tetrakis[(S)-2-hydroxy-2-phenylethyl]-1,4,7,10-tetraazacyclododecane: A Combined X-Ray Crystallographic and Theoretical Study Producing an Assessment of the Crystal Packing Energy." Australian Journal of Chemistry 59, no. 2 (2006): 123. http://dx.doi.org/10.1071/ch05275.

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X-Ray crystallography demonstrates that the guest molecule binding cavity within the molecular receptor ligand 1,4,7,10-tetrakis[(S)-2-hydroxy-2-phenylethyl]-1,4,7,10-tetraazacyclododecane, (S)-thpec12, is a poorly defined conical region stabilized by three O–H···O hydrogen bonds and a single O–H···N hydrogen bond. Two similar, but crystallographically independent, molecules exist within the unit cell. Ab initio calculations, using Gaussian 03 (LanL2DZ basis set at the Hartree–Fock level of theory), predict that these have steric energies of 97.73 and 97.06 kJ mol−1, respectively, above that of the minimum energy (gas phase) conformer of the same hydrogen-bonding configuration, which is believed to be the structure of global minimum energy. The mean of these energies (97.4 kJ mol−1) represents a best estimate of the crystal packing energy for (S)-thpec12, some of which is seen to be expended in rotating the phenyl rings away from the positions favoured in the gas phase. The ability of the CdII complex of (S)-thpec12 to act as a molecular receptor for aromatic anions is demonstrated by the isolation of two inclusion compounds in which p-nitrophenolate and anthraquinone-2-sulfonate are retained.
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Dissertations / Theses on the topic "Aromatic anion inclusion"

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Hodyl, Jozef Andrew Zbigniew, and jozef hodyl@flinders edu au. "Silica Immobilised Metal Ion Activated Molecular Receptors." Flinders University. School of Chemistry, Physics and Earth Sciences, 2008. http://catalogue.flinders.edu.au./local/adt/public/adt-SFU20090301.162335.

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Immobilisation of functional entities, such as, enzymes, onto solid supports, as a means of facilitating their removal from the surrounding environment and subsequent regeneration has been in practice for many decades. This work focuses on the immobilisation and analysis of three-walled (pendant armed), cyclen based receptor complexes immobilised onto a silica surface for the purpose of sequestering aromatic anions from aqueous solution: Si-GPS-[Cd(Trac)](ClO4)2, Si-GPS-[Cd(DiPTrac)](ClO4)2, and Si-GPS-[Cd(TriPTrac)](ClO4)2 were the immobilised receptors used. Initially, synthesis of a three-walled model receptor, [Cd(TracHP12)](ClO4)2, that is not bound to silica yet mimics the properties of the silica anchored receptor complexes with a hydroxypropyl pendant arm was effected. Aromatic anion binding constant measurements were made on the model receptor using 1H NMR monitored titrations in DMSO-d6 which showed that, in comparison to the first generation four-walled receptors, the removal of one of the pendant arms did not affect the binding capability of the receptor's cavity significantly. It was shown that the binding strength correlated well with the pKa of the particular anion with, for example, p-hydroxybenzoate > m-hydroxybenzoate > o-hydroxybenzoate. The precursor to this receptor was then immobilised onto a silica surface and subjected to metal ion uptake studies to gauge its coordination properties with a number of divalent metal(II) ions: Cd(II), Pb(II), Zn(II), Cu(II) and Ca(II). The three Cd(II) coordinated receptor complexes mentioned above were then subjected to inclusion studies with a number of aromatic anions in aqueous conditions whereupon a reversal of the previously mentioned trend, i.e. o-hydroxybenzoate > m-hydroxybenzoate > p-hydroxybenzoate was observed. This indicated that the presence of water in the system changes the hydrogen bonding mode of the host-guest complexes, and was a major discovery arising from this work.
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