DFT, FT-Raman and FT-IR investigations of 5-o-tolyl-2-pentene.

FT-IR and Raman spectra of 5-o-tolyl-2-pentene (OTP) have been experimentally reported in the region of 4000-10 cm(-1) and 4000-100 cm(-1), respectively. The optimized geometric parameters, normal mode frequencies and corresponding vibrational assignments of cis and trans isomers of OTP (C12H16) have been theoretically examined by means of B3LYP hybrid density functional theory (DFT) method together with 6-31G(d) and 6-31++G(d,p) basis sets. Furthermore, reliable vibrational assignments have made on the basis of potential energy distribution (PED) calculated.

Monitoring of monochlorophenols adsorbed on metal (Cu and Zn) supported pumice by infrared spectroscopy.

The adsorption of monochlorophenols (o-, m-, p-chlorophenol) on pumice, Zn/pumice and Cu/pumice has been studied through Fourier Transform Infrared (FTIR) Spectroscopy in transmission mode. The data show that after Zn and Cu were supported on pumice, the adsorption of 4-chlorophenol is characterized by the bands at 1591, 1494, 1092 and 824 cm(-1). Adsorption process occurred via metal cations on the surface of pumice.