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

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...

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Bibliographic Details
Main Authors: Marlina, Lala Adetia, Haryadi, Winarto, Daengngern, Rathawat, Pranowo, Harno Dwi
Format: Other
Language:English
Published: Journal of Molecular Graphics and Modelling 2022
Subjects:
Physical Chemistry
Online Access:https://repository.ugm.ac.id/284300/1/Molecular%20design%20of....pdf

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