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The Coordination Chemistry of the CF Group of Fluorocarbons: Thermodynamic Data and Ab Initio Calculations on CF–Metal Ion Interactions
Author(s) -
Buschmann HansJürgen,
Hermann Jörg,
Kaupp Martin,
Plenio Herbert
Publication year - 1999
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/(sici)1521-3765(19990903)5:9<2566::aid-chem2566>3.0.co;2-3
Subject(s) - fluorobenzene , chemistry , fluorine , ab initio , metal , oxygen atom , ether , ion , coordination complex , atom (system on chip) , inorganic chemistry , ab initio quantum chemistry methods , potentiometric titration , group (periodic table) , computational chemistry , crystal structure , crystallography , molecule , organic chemistry , computer science , embedded system , benzene
The fluorine atom of fluorobenzene acts as a normal donor towards hard metal cations (see diagram). This conclusion was drawn on the basis of potentiometric and calorimetric data and X‐ray crystal structure determinations. DFT calculations confirm this and predict the Li + –F (fluorobenzene) interaction to be roughly two‐thirds as strong as that of Li + with the oxygen atom of dimethyl ether.