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The Mechanism of Cyclodehydrofluorination on γ‐Alumina
Author(s) -
Sharapa Dmitry,
Steiner AnnKristin,
Amsharov Konstantin
Publication year - 2018
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.201800189
Subject(s) - mechanism (biology) , rational design , nanotechnology , oxide , materials science , nanostructure , work (physics) , transformation (genetics) , aluminium , chemical engineering , chemistry , metallurgy , physics , thermodynamics , biochemistry , quantum mechanics , gene , engineering
The cyclodehydrofluorination of fluorinated arenes on the thermally activated γ‐aluminum oxide is found to be very effective for the rational synthesis of nanographenes and related carbon based nanostructures by bottom‐up approach. In this work we performed an extended DFT study of cyclodehydrofluorination which shed light on the mechanism of this important transformation. The fundamental mechanistic insights provide the guidelines for further improvement of the synthesis of well‐defined nanographenes via CF bond activation.