Disorder induced hysteresis in diluted kinetic Ising model

Theoretical study of normal Raman spectra and SERS of benzyl chloride and benzyl radical on silver electrodes

“…We first inspected the 19 in-plane vibrations. For C-H stretching modes, there are five modes as v 2 , v 7a , v 7b , v 20a , and v 20b , the latter four modes of which are similar to previous assignments, [19] but the v 2 mode corresponds to the C 4 -H stretching vibration. This is different from the assignment in the previous study, where the v 13 mode was assigned to the C-H stretching vibration.…”

“…In the previous study, the 558 cm À1 peak was thought from the CH 2 Cl moiety, while the peak frequency at 472 cm À1 was thought from the v 6a mode. [19,21] We reassigned the observed frequency at 813 [19] and 816 cm À1 [21] to the v 1 ring breathing mode, in good accordance with the scaled frequency at 809 cm À1 . The v 12 mode is mainly originated from the trigonal deformation of the phenyl ring.…”

“…This is different from the assignment in the previous study, where the v 13 mode was assigned to the C-H stretching vibration. [19] The other 14 in-plane vibrations with the vibrational frequencies less than 1700…”

“…In previous studies, some experimental and theoretical assignments have been reported for benzyl chloride, [19,20] but there are lack of clear and complete assignments. Table S1 lists new assignments of benzyl chloride as well as the observed frequencies at laser line 632.8 nm.…”

“…The vibrational assignments of benzyl chloride in pure liquid state were reported on the basis of infrared and Raman spectroscopy, but there are many discrepancies in vibrational analysis of benzyl chloride experimentally and theoretically. [19][20][21] For benzyl radical, the transient species were formed during photochemical reactions, so that the vibrational bands were observed from fluorescence emission spectroscopy in early studies. [22][23][24] So far, its resonance Raman spectrum has been reported at the excitation wavelength of 315 nm.…”