Works (2)

Updated: July 15th, 2023 21:18

2014 journal article

Electronic Structure of Covalently Linked Zinc Bacteriochlorin Molecular Arrays: Insights into Molecular Design for NIR Light Harvesting

JOURNAL OF PHYSICAL CHEMISTRY A, 118(42), 9901–9913.

By: K. Shrestha n, J. Gonzalez-Delgado*, J. Blew n & E. Jakubikova n

MeSH headings : Molecular Dynamics Simulation; Organometallic Compounds / chemistry; Porphyrins / chemistry; Quantum Theory; Spectroscopy, Near-Infrared; Zinc / chemistry
TL;DR: A systematic study of the ground state electronic structure of zinc bacteriochlorin molecular arrays with various linkers and linker attachment sites employing density functional theory in combination with the energy-based fragmentation method, and the EBF with molecular orbitals method finds that the level of steric hindrance is directly correlated with the amount of ground sate electronic interactions between the ZnBCs. (via Semantic Scholar)
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (OpenAlex)
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

2013 journal article

Elucidating Band-Selective Sensitization in Iron(II) Polypyridine-TiO2 Assemblies

INORGANIC CHEMISTRY, 52(15), 8621–8628.

By: D. Bowman n, J. Blew n, T. Tsuchiya n & E. Jakubikova n

TL;DR: The results are consistent with the previous experimental work on Fe(II) sensitizers and elucidate the band-selective nature of the IET in these compounds and investigate the interfacial electron transfer between the excited Fe( II) dyes and a TiO2 nanoparticle. (via Semantic Scholar)
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (Web of Science; OpenAlex)
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

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