Journal of the Chilean Chemical Society
versión On-line ISSN 0717-9707
JARA, Paul et al. IR AND 13C-NMR SPECTRAL PROPERTIES OF THE LAYERED INCLUSION COMPOUND BIS(THIOUREA)HEXAMETHYLENETETRAMINE. J. Chil. Chem. Soc. [online]. 2004, vol.49, n.1, pp.39-43. ISSN 0717-9707. http://dx.doi.org/10.4067/S0717-97072004000100008.
The structure of the 1: 2 adduct of hexamethylenetetramine and thiourea was reanalyzed reinterpreting X-ray diffraction data and providing additional IR and NMR spectroscopic features. The product is thus described as supramolecular commensurate host-guest complex corresponding to the intercalation of hexamethylenetetramine in a layered thiourea matrix. FT-IR spectra evidence a simultaneous strengthening of both C-N and C-S bonds, that appearing as a pattern characteristic for described layered thiourea matrix. 13CP MAS-NMR spectra of the intercalated hexamethylenetetramine is essentially determined by nuclear dipolar magnetic interactions and host-guest chemical interactions arising from 13C-14N residual dipolar interaction not averaged to zero by MAS-NMR and from the magnetic non-equivalence of the guest carbon atoms caused by the hydrogen bonding interaction with the thiourea matrix
Palabras clave : Thiourea; hexamethylenetetramine; inclusion compound.