In this Letter we reanalyze the absorption and emission spectra of picene in solution, performing a detailed analysis of the singlet electronic transitions and of their vibronic structure. A simple INDO/S semiempirical approach turns out to be very effective for the calculation of the absorption frequencies, the relevant oscillator strengths and Huang–Rhys factors, offering a valid guide for the spectral assignment.
Vibronic structure of picene electronic transitions / Alice, Verdelli; Girlando, Alberto. - In: CHEMICAL PHYSICS LETTERS. - ISSN 0009-2614. - 591:(2014), pp. 47-51. [10.1016/j.cplett.2013.11.006]
Vibronic structure of picene electronic transitions
GIRLANDO, Alberto
2014-01-01
Abstract
In this Letter we reanalyze the absorption and emission spectra of picene in solution, performing a detailed analysis of the singlet electronic transitions and of their vibronic structure. A simple INDO/S semiempirical approach turns out to be very effective for the calculation of the absorption frequencies, the relevant oscillator strengths and Huang–Rhys factors, offering a valid guide for the spectral assignment.File in questo prodotto:
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