Quinuclidine-thiourea inclusion compound. A perfect van der Waals cavity

Yutronic, N; Merchan, J; Jara P.; Gonzalez G. ; Garland, MT

Abstract

Thiourea reacts with 1-azabicyclo[2.2.2]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 be described 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.

Más información

Título según WOS: Quinuclidine-thiourea inclusion compound. A perfect van der Waals cavity
Título según SCOPUS: Quinuclidine-Thiourea Inclusion Compound. A Perfect van der Waals Cavity
Título de la Revista: JOURNAL OF INCLUSION PHENOMENA AND MACROCYCLIC CHEMISTRY
Volumen: 45
Número: 01-feb
Editorial: Springer
Fecha de publicación: 2003
Página de inicio: 51
Página final: 57
Idioma: English
URL: http://link.springer.com/10.1023/A:1023074403436
DOI:

10.1023/A:1023074403436

Notas: ISI, SCOPUS