The absorption spectra of anisole-h8, anisole-d3 and anisole-d8. The assignment of fundamental vibrations in the S₀and the S₁states

Abstract

The REMPI spectra of anisole-h8, anisole-d3 and anisole-d8 have been measured. The assignment of the fundamental vibrations of anisole in the S(1) state is supported by quantum chemical model calculations, the isotopic shifts, the comparison with the frequencies of corresponding vibrations in other monosubstituted benzenes, especially phenol, and the overtones, combinations and progressions observed in the spectrum of anisole-h8. The frequencies of the 42 fundamental vibrations of anisole in the S(1) state are evaluated and compared with the frequencies of the corresponding vibrations in the electronic ground state. Some assignments given earlier in the literature have been revised.

The use of bimetallics to control the selectivity for the upgrading of lignin-derived oxygenates: Reaction of anisole on Pt and PtZn catalysts

“…5. As expected, at temperatures below 190 K the spectrum is nearly identical to that obtained in this temperature range for Zn-free Pt(1 1 1) and is consistent with IR and Raman spectra for anisole (see Table 1) [33][34][35]. Heating to 215 K, which is sufficient to desorb physisorbed anisole, caused some changes including the emergence of a small peak at 400 cm À1 , a large increase in the intensity of the d(CAH) ring peak at 1000 cm À1 , and a decrease in the intensities of the m(CAH) peaks at 2880 and 3000 cm À1 .…”

“…As noted above, spectra corresponding to higher temperatures were obtained by briefly heating the sample to the indicated temperature and then letting it cool back to 115 K, at which point the spectrum was collected. As would be expected, the spectrum obtained at 115 K contains peaks that are characteristic of molecular anisole and can be assigned via comparison with the corresponding IR and Raman spectra [33][34][35]. Individual peak assignments are given in Table 1.…”

Resonance-enhanced multiphoton ionization (REMPI) spectroscopy of the 35Cl and 37Cl isotopomers of p-chloroanisole

“…The similarity of the calculated E 1 s is consistent with that of the experimental results. Table 4 lists the origins of the S 1 S 0 electronic transition energies (E 0 1 s) of phenol [27][28][29], anisole [30][31][32], aniline [33][34][35] and their para-halogen substituted derivatives [16,20,22,33,36]. The band origins of the S 1 S 0 vibrationless transitions of p-fluoroanisole and p-chloroanisole are 35 146 and 34 859 cm À1 , which are red-shifted by 1234 and 1524 cm À1 , respectively, relative to that of anisole.…”

Mechanistic study of the hydrodeoxygenation of lignin-derived oxygenates on a CoPt bimetallic catalyst: reaction of anisole on Co-modified Pt(111)

“…The spectra obtained at 145 and 200 K, which are below the desorption temperature of the physisorbed anisole, are consistent with that expected for molecular anisole. Individual peak assignments along with a comparison to those in the IR and Raman spectra of anisole [28][29][30] and the HREELS spectrum of molecular anisole on Pt(111), as reported in our previous study [17], are given in table 1.…”