Recently the CO4 isomer with C2v symmetry has been detected in an experiment [C. S. Jamieson et al., Chem. Phys. Lett. 440, 105 (2007)]. To further characterize this isomer, we report its optical excitation and absorption spectra calculated by the time-dependent density functional theory. Its rich spectral features are compared with those of another stable isomer having D2d symmetry. Their spec...

A series of novel naphthalene attached bis-oxazines were synthesized and characterized. The bis-oxazines were studied by VT-NMR analysis to assess the possibility of conformational twist. The bis-oxazine prepared from (l)-methylvalinate show a helical conformational twist in the single crystal X-ray analysis. Three isomers of bis-oxazines were prepared from chiral α-methylbenzyl amines, the mes...

The ground-state electronic and structural properties, and the electronic excitations of the lowest energy isomers of the Ag8 cluster are calculated using density functional theory (DFT) and timedependent DFT (TDDFT) in real time and real space scheme, respectively. The optical spectra provided by TDDFT predict that the D2d dodecahedron isomer is the structural minimum of Ag8 cluster. Indeed, i...

The effect of racemic mephobarbital and its optical isomers on survival time of mice exposed to 5% O2 was studied. There was an increase in survival time from 4.2 minutes to 12.6 minutes for 100 mg/kg of the anesthetically active (-) isomer and the racemic form, but no increase for 100 mg/kg of the inactive (+) isomer. Since it has been shown that there is no difference in brain concentrations ...