We present a new and considerably extended parameterization of the thermodynamic activity coefficient model AIOMFAC (Aerosol Inorganic-Organic Mixtures Functional groups Activity Coefficients) at room temperature. AIOMFAC combines a Pitzer-like electrolyte solution model with a UNIFAC-based group-contribution approach and explicitly accounts for interactions between organic functional groups an...

Recently, the discovery of room temperature magnetoelectricity in organic charge transfer complexes has reignited interest in the multiferroic field. The solution processed, large-area and low cost organic semiconductor materials offer new possibilities for the functional all organic multiferroic devices. Here we report the spin polarization of excitons and charge transfer states in organic cha...

calcium fluoride nanoparticles with special amount of cerium ion (%1) were synthesized by coprecipitation. fourier transforms infrared spectroscopy (ftir), x-ray diffraction (xrd), absorption and photoluminescence (pl) from caf2ce nanoparticles has been investigated. ftir spectra reveal that there are some amounts of oh, no3 and other organic functional groups on the particle surfaces before th...

The last decade has seen an explosion in research reports in the area of C–H functionalization/activation in organic synthesis. This is not surprising. What is surprising is that it took many in the synthetic organic community this long to fully embrace this exciting and enabling technology. After all, organic compounds mainly consist of a carbon skeleton that bears a large number of hydrogens....

Porous organic cages present many opportunities in functional materials chemistry, but the synthetic challenges for these molecular solids are somewhat different from those faced in the areas of metal-organic frameworks, covalent-organic frameworks, or porous polymer networks. Here, we highlight the practical methods that we have developed for the design, synthesis, and characterization of imin...

Charge transfer (CT) states and excitons are important in energy conversion processes that occur in organic light emitting devices (OLEDS) and organic solar cells. An ab initio density functional theory (DFT) method for obtaining CT-exciton electronic couplings between CT states and excitons is presented. This method is applied to two organic heterodimers to obtain their CT-exciton coupling and...