Molecular Design of Aromatic Polythionoesters.

As an example of molecular design of new polymers, structures and properties of poly(ethylene thionoterephthalate) (PET[S]) and the related polymers have been predicted from calculations of ab initio molecular orbital (MO) theory, rotational isomeric state (RIS) scheme, and periodic density functional theory (DFT). The MO calculations were confirmed by NMR experiments and introduced to the RIS scheme for PET[S] to yield its configurational properties, which are compared herein with those of analogous polyester, polythioester, and polydithioester. Configurational properties of randomly thiono-substituted poly(ethylene terephthalate) (PET), PET[S O ], were also evaluated as a function of sulfidity ().

Site-Selective Doping and Site-Sensitive Photoluminescence of Eu and Tb in Perovskite-Type LaLuO.

Eu and Tb ions were site-selectively doped into LaLuO with the orthorhombic perovskite-type structure (ABO), and their luminescence properties were examined considering the doping sites (A or B sites). The X-ray diffraction analysis revealed the expansion or contraction of the unit cell volumes of the materials depending on the doping sites. The spectra of X-ray absorption near edge structure for the Eu and Tb L edge exhibited different shapes for the ions at A and B sites, confirming the site-selective doping of Eu and Tb in LaLuO.

Crystal structures of 2-(benzene-carbo-thio-yloxy)ethyl benzene-carbo-thio-ate and 2-(benzene-carbo-thio-yloxy)ethyl benzoate.

The title compounds, CHOS and CHOS, which are monomeric models (models and ) for a polythio-noester and a poly(ester--thio-noester), respectively, crystallize in the space group 2/ and are isostructural with each other. The mol-ecule in each crystal is located on an inversion centre and has an all- structure. The asymmetric unit comprises one half-mol-ecule.