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Charge Transfer Enhancement in the D-π-A Type Porphyrin Dyes: A Density Functional Theory (DFT) and Time-Dependent Density Functional Theory (TD-DFT) Study
The electronic geometries and optical properties of two D-π-A type zinc porphyrin dyes (NCH(3)-YD2 and TPhe-YD) were systematically investigated by density functional theory (DFT) and time-dependent density functional theory (TD-DFT) to reveal the origin of significantly altered charge transfer enha...
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| Pubblicato in: | Molecules |
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| Autori principali: | , , |
| Natura: | Artigo |
| Lingua: | Inglês |
| Pubblicazione: |
MDPI
2016
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| Soggetti: | |
| Accesso online: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6273875/ https://ncbi.nlm.nih.gov/pubmed/27897999 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/molecules21121618 |
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