On the linear and non-linear electronic spectroscopy of chlorophylls: a computational study.
نویسندگان
چکیده
A theoretical analysis of linear and non-linear (two-photon absorption) electronic spectroscopy of all known porphyrinic pigments has been performed using linear and quadratic density functional response theory, with the long-range corrected CAM-B3LYP functional. We found that higher Soret transitions often contain non-Gouterman contributions and that each chlorophyll has the possibility for resonance enhanced TPA in the Soret region, although there is also significant TPA in the Q region.
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ورودعنوان ژورنال:
- Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology
دوره 13 1 شماره
صفحات -
تاریخ انتشار 2014