π -Type and σ -type cation- π complexes of atomic cations

π -Type and σ -type cation- π complexes of atomic cations MP2/6-31+G* calculations were performed on the cation-π complexes of ethylene, cyclobutadiene and benzene with a number of atomic cations. It was found that except B+ all the atomic cations form π-type cation-π complexes with ethylene. On the other hand, with cyclobutadiene Li+, N+, Na+, P+ and K+ form π-type complexes, whereas H+, F+, and Cl+ form covalent σ-type complexes. With benzene Li+, B+, Na+, Al+, and K+ form π-type complexes whereas H+, F+, and Cl+ form σ-type complexes. It was concluded that the driving force to form the σ-type complex is chemical bonding, and that for metal cations to form π-type complexes is non-covalent interaction. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Research on Chemical Intermediates Springer Journals

π -Type and σ -type cation- π complexes of atomic cations

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Publisher
Brill Academic Publishers
Copyright
Copyright © 2002 by VSP 2002
Subject
Chemistry; Inorganic Chemistry; Physical Chemistry; Catalysis
ISSN
0922-6168
eISSN
1568-5675
D.O.I.
10.1163/156856702760129492
Publisher site
See Article on Publisher Site

Abstract

MP2/6-31+G* calculations were performed on the cation-π complexes of ethylene, cyclobutadiene and benzene with a number of atomic cations. It was found that except B+ all the atomic cations form π-type cation-π complexes with ethylene. On the other hand, with cyclobutadiene Li+, N+, Na+, P+ and K+ form π-type complexes, whereas H+, F+, and Cl+ form covalent σ-type complexes. With benzene Li+, B+, Na+, Al+, and K+ form π-type complexes whereas H+, F+, and Cl+ form σ-type complexes. It was concluded that the driving force to form the σ-type complex is chemical bonding, and that for metal cations to form π-type complexes is non-covalent interaction.

Journal

Research on Chemical IntermediatesSpringer Journals

Published: Oct 13, 2004

References

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