Molecular design of benzo[c][1,2,5]thiadiazole or thieno[3,4-d] pyridazine-based auxiliary acceptors through different anchoring groups in D-π-A-A framework: A DFT/TD-DFT study
Based on density functional theory (DFT) and time-dependent DFT (TD-DFT) methods, a novel series of D-π-A-A porphyrin sensitizers adsorbed on the TiO2 cluster has been investigated. The D-π-A-A configurations contained a donor of iminodibenzyl, π-linker of Zn-porphyrin, and two kinds of auxiliary ac...
| Main Authors: | , , , |
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| Format: | Other |
| Language: | English |
| Published: |
Journal of Molecular Graphics and Modelling
2022
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| Subjects: | |
| Online Access: | https://repository.ugm.ac.id/284300/1/Molecular%20design%20of....pdf |