Quinuclidine-Thiourea Inclusion Compound. A Perfect van der Waals Cavity |
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Authors: | Nicolás Yutronic Juan Merchán Paul Jara Guillermo Gonzalez María T Garland |
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Institution: | (1) Department Of Chemistry, Faculty Of Sciences, Universidad De Chile, Chile;(2) Department of Physics, Faculty of Sciences Physics and Mathematics, Universidad de Chile, Chile |
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Abstract: | Thiourea reacts with 1-azabicyclo2.2.2]octane (quinuclidine, Q) in methanol at room temperature leading to the formation of Q(3-thiourea).Single crystal X-ray diffraction analysis shows that the product has a rhombohedral structure, = = 90°, = 120°,a = b = 15.9371(2),c = 12.4248(2),which may bedescribed as a thiourea matrix defining hexagonal channels where the quinuclidine molecules are located. The 13C-cross polarisation magic angle spinning (CP-MAS) study indicates that the guest inside the cavities has high conformational, rotational and translational mobility at room temperature. Thermal studies indicate that the structural identity of the thiourea matrix remains after a partial loss of amine, and this result suggests that the thiourea-amine inclusion compound possesses an open host structure, or that a topotactic process is associated. |
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Keywords: | inclusion thiourea quinuclidine clathrate |
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