Precise determination of the orientation of the transition dipole moment in a Bodipy derivative by analysis of the magnetophotoselection effect
| Autor: | Zhijia Wang, Antonio Toffoletti, Matteo Tommasini, Antonio Barbon, Jianzhang Zhao |
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| Jazyk: | angličtina |
| Rok vydání: | 2018 |
| Předmět: |
Physics and Astronomy (all)
Physical and Theoretical Chemistry Materials science 010405 organic chemistry Isotropy Transition dipole moment General Physics and Astronomy 010402 general chemistry 01 natural sciences Molecular physics Spectral line 0104 chemical sciences law.invention chemistry.chemical_compound chemistry law Triplet state BODIPY Spectroscopy Electron paramagnetic resonance Excitation |
| Popis: | Magnetophotoselection effects, observed for the lowest triplet state of a boron-dipyrromethene (Bodipy) derivative by time-resolved electron paramagnetic resonance (TR-EPR) spectroscopy, have been exploited to determine with a good precision of about 5° the 3D orientation of the singlet–singlet transition dipole moment (TDM) in the molecular frame. We have shown that the TR-EPR spectrum lineshape, obtained using a polarized laser pulse, is different from that obtained by using depolarized light. We first developed a new model for the simulation of the TR-EPR spectra obtained with polarized light excitation; the model explicitly takes into account the orientation of the TDM in the molecular frame. We then applied the method for the determination of the TDM orientation, directly from glassy frozen isotropic solutions of Bodipy. The experimentally determined direction has been compared with that obtained from quantum mechanical calculations. |
| Databáze: | OpenAIRE |
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