Isostructural coordination chains assembled with aminopyrazine: decreasing photoluminescence yield by Cd(II) replacement for Mn(II)
Nenhuma Miniatura disponível
Data
2021
Título da Revista
ISSN da Revista
Título de Volume
Editor
Resumo
A cadmium coordination polymer assembled with aminopyrazine (ampyz) and acetate (AcO) was recently found to be a high-efficiency material able to convert ultraviolet radiation into blue light, with internal and external photoluminescence quantum yields (iPLQY and ePLQY) approaching 80%. Here we were inspired to prepare a blue-light-emitter based on its structure by replacing the toxic cadmium element for Mn2+. The isostructural Mn2+ coordination polymer was obtained and its structure was elucidated by single-crystal X-ray diffraction. Its optical properties were assessed and understood based on TD-DFT calculations. Low-gap d-shaped HOMO-LUMO orbitals were found intercalating those responsible for UV absorption. Therefore, low-frequency radiative decay occurs before the target luminescence, depleting much its blue-light-emission efficiency which doesn't achieve 3%. This novel material allowed us to conclude that the cadmium d10 closed-shell is decisive to the high-efficiency brightness of the literature compound.
Descrição
Palavras-chave
Quantum yield, Photoluminescence, X-ray diffraction, Crystal structure, Theoretical calculations
Citação
LEMES, Maykon Alves et al. Isostructural coordination chains assembled with aminopyrazine: decreasing photoluminescence yield by Cd(II) replacement for Mn(II). Journal of Molecular Structure, Amsterdam, v. 1236, e130352, 2021. DOI: 10.1016/j.molstruc.2021.130352. Disponível em: https://www.sciencedirect.com/science/article/abs/pii/S0022286021004853?via%3Dihub. Acesso em: 31 out. 2023.