What is it about?
Hydrogen bonding is a type of non-covalent intermolecular interactions showing significant importance for many molecular systems. We have theoretical investigated for the first time sensing ability of polypyrene covalent organic frameworks (COF) that can encompass the indoor pollutant the formaldehyde (HCHO). For this purpose we have used DFT and TD-DFT methods to assess the strength of hydrogen bonding.
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Why is it important?
Our finding show the provision of new research for synthetic and theoretical chemist.
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This page is a summary of: Impact of electronically excited state hydrogen bonding on luminescent covalent organic framework: a TD-DFT investigation, Molecular Physics, November 2018, Taylor & Francis,
DOI: 10.1080/00268976.2018.1543901.
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