Di-tert-butyl peroxide (DTBP) and 2, 2'-azobisisobutyronitrile (AIBN) were used as initiators and chlorobenzene was used as an inert solvent. The values of kp/(2kt)1/2 in the neat phase are slightly less than those in chlorobenzene solution for a given initiator concentration and temperature. This retardation can be attributed to the solvent effect of chlorobenzene on the decomposition rate of ...

By an initial solvent screening of 18 solvents, 14 pure good solvents were selected for the crystallization of tolbutamide. Solid generation by the solvent-change method was carried out using the pure good solvents. Crystals were generated in only 10 of the 14 solvents. Different crystal forms of tolbutamide were obtained. Crystals were subjected to evaluation tests such as differential scannin...

We quantitatively interpret the recently discovered intriguing phenomenon related to resonance Hyper-Raman (HR) scattering. In resonance HR spectra of all-trans-β-carotene (β-carotene) in solution, vibrations of proximate solvent molecules are observed concomitantly with the solute β-carotene HR bands. It has been shown that these solvent bands are subject to marked intensity enhancements by mo...

In this paper we present the theory and implementation of the symmetry-adapted cluster (SAC) and symmetry-adapted cluster-configuration interaction (SAC-CI) method, including the solvent effect, using the polarizable continuum model (PCM). The PCM and SAC/SAC-CI were consistently combined in terms of the energy functional formalism. The excitation energies were calculated by means of the state-...