Interaction of a Porphyrin Aluminum Metal–Organic Framework with Volatile Organic Sulfur Compound Diethyl Sulfide Studied via In Situ and Ex Situ Experiments and DFT Computations

The study presents complementary experiments and quantum chemical DFT computations to reveal the molecular-level interactions of an advanced nanomaterial, porphyrin aluminum metal–organic framework (compound <b>2</b>), with the volatile organic sulfur compound diethyl sulfide (DES). First, the inter...

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Bibliografische Detailangaben

Hauptverfasser:	Shaheed Ullah, Michael L. McKee, Alexander Samokhvalov
Format:	Artigo
Sprache:	Inglês
Veröffentlicht:	MDPI AG 2023-11-01
Schriftenreihe:	Nanomaterials
Schlagworte:	metal–organic framework diethyl sulfide sorption DFT ATR-FTIR kinetics
Online-Zugang:	https://www.mdpi.com/2079-4991/13/22/2916
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