β-cyclodextrin complexes of benzaldehyde, vanillin and cinnamaldehyde: a Raman spectroscopic study Abstract Raman spectra of benzaldehyde, vanillin and trans-cinnamaldehyde, and of their complexes in β-cyclodextrin are presented and discussed. The guest molecules provide both an aromatic ring for privileged interaction with the cyclodextrin cavity, and characteristic vibrations (e.g., vC=O, vC=C, vCCϕ (ϕ=phenyl), vC-Hϕ) with group…

Discovery of two rotational isomers of 4-methoxystyrene by laser induced fluorescence in a supersonic jet Abstract The S1–S0 fluorescence excitation spectrum of 4-methoxystyrene seeded into a supersonic free jet shows two 000 bands, corresponding to the cis and trans rotational isomers. Dispersed fluorescence, with excitation in each of these bands, show that some of the…

Substituted styrene molecules included in cyclodextrins: a Raman spectroscopic study Abstract Raman spectra of styrene (S), 3-fluorostyrene (3FS), 3-chlorostyrene (3CS) and 3-methylstyrene (3MS) and their complexes in α-, β- and γ-cyclodextrins (α-, β-, γCD) were recorded at various temperatures. The substituted styrene molecules were found to provide good group frequencies, namely, vCC and vCH, for…

Meta-substituted styrene molecules included in cyclodextrins: a Raman spectroscopic study Abstract Raman spectra of styrene (S), 3-fluorostyrene (3FS), 3-chlorostyrene (3CS) and 3-methylstyrene (3MS) and their complexes in α-, β- and γ-cyclodextrins (α-, β-, γCD) were recorded at various temperatures. The substituted styrene molecules were found to provide good group frequencies, namely, vC=C and vC-H, for…

Conformational equilibria for 2- and 3-chlorostyrene: Raman and FTIR spectra and ab initio calculations Abstract Ab initio SCF MO calculations at the 3–21G level and the vibrational spectra [Raman and Fourier transform (FT) IR] of liquid-phase 2-chloro- and 3-chlorostyrene are reported. For 2-chlorostyrene, the ab initio calculations predict skew and gauche minima, with an energy…