A re-examination of the line shape of the electronic spectra of complex molecules in solution: log-normal function versus gaussian

Insights into the Reaction Mechanism of Cyclohexane Oxidation Catalysed by Molybdenum Blue Nanorings

“…The sample was mounted on a 3 mm diameter diffuse reflectance sampling cup. Deconvolution analysis was carried out in the region 400-800 nm by means of Gaussian peaks [17]. The spectra were normalized to 1 unit of absorbance for comparison 5 purposes.…”

“…C. This procedure was followed to remove oxygen from the gas phase before recording the spectrum at low temperature, in order to avoid dipolar broadening of the EPR line of the surface paramagnetic species caused by interaction with physisorbed molecular oxygen. The sample was then exposed to 17 O 2 at room temperature and then the sample was further evacuated for 1.5h. The sample was then cooled at 140 K after this absorption for spectra recording.…”

“…1), shows the clear presence of two bands at 611 and 659 nm, which are assigned to intervalence charge transfer (IVCT) bands [26], and the presence of a distinct shoulder at 450 nm. Deconvolution of the MB UV-Vis spectrum using Gaussian peaks [17] (Fig. 2) lead to a fitting profile presenting six species (table 2).…”

“…Despite this non-informative result, and yet the role of oxygen in driving the selectivity to a desired oxidation product as a function of the MB electronic structure, we collected EPR spectra of MB in presence of 17 surface. This further shows, as for DR-UV-Vis, that MB is a challenging system to study due to the inner complexity of its electronic structure.…”

Handling Electromagnetic Radiation beyond Terahertz using Chromophores to Transition from Visible Light to Petahertz Technology

“…σ is the standard deviation and characterizes the extension of the bands. The compatibility of equation (3) with experimental data was tested [19,20] where a transformation according the right part of equation (3) is recommended [21] because UV/Vis spectra are commonly linearly recorded in wavelengths. The factor 100 in the exponent is useful because the wavelength is commonly reported in nm and extensions of bands such as σ in kK (10000 cm Typical structured absorption and fluorescence spectra were found for 1 (n=2, R=1-hexylheptyl) in homogeneous solution in chloroform; see Figure 5.…”