نتایج جستجو برای: delocalization
تعداد نتایج: 2887 فیلتر نتایج به سال:
Materials in which charge delocalization and migration can be tuned are critical for electronic applications.
Charge transport is dependent on properties such as reorganization energy (λ) and free energy. These quantities are typically estimated applying density functional theory (DFT) to optimized geometries. However, most pigments in photosynthesis conjugated, making delocalization vibrational effects relevant. Here, we calculated energies of 15 molecules relevant using a reliable DFT-based approach....
Femtosecond measurements of the transient dichroism and near-IR time-resolved spectra revealed the ultrafast delocalization of the cationic state in poly(N-vinylcarbazole), leading to carrier photogeneration.
We readdress the well-known nephelauxetic effect in coordination compounds of transition metal ions and analyze its possible origins presented in the literature. The initial hypothesis was to ascribe the reduction of the effective Racah parameters B and C of the electron–electron interaction in the complexes as compared to their respective free ion values (which is the essence of the nephelauxe...
The photoexcited triplet states of a series of linear and cyclic butadiyne-linked porphyrin oligomers were investigated by transient Electron Paramagnetic Resonance (EPR) and Electron Nuclear DOuble Resonance (ENDOR). The spatial delocalization of the triplet state wave function in systems with different numbers of porphyrin units and different geometries was analyzed in terms of zero-field spl...
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