Can I read Ab initio investigation of the potential energy surfaces of C2H2F2 and C2H2F2+ on EtoBox?

Ab initio investigation of the potential energy surfaces of C2H2F2 and C2H2F2+ by Gernot Frenking; Wolfram Koch; Michael Schaale is a Chemistry article available to read on EtoBox.

What is Ab initio investigation of the potential energy surfaces of C2H2F2 and C2H2F2+ about?

Ab initio MO calculations have been performed for neutral and cationic CzHzFz structures. Olefinic and carbene structures are investigated for the neutral isomers, while olefinic, carbene, and fluoronium-type cations are found. Stability orders and rotational barriers are discussed in terms of orbital and Coulomb interaction. Contrary to previous studies, the higher stability of the geminal isomers is interpreted to be caused by Coulomb attraction. ' F H \_\_ \_\_ 18 ( c a t i o n ) The energies, bonding properties, electronic, and geometrical structures, and in some cases rotational barriers, are reported herein.

Who reads Ab initio investigation of the potential energy surfaces of C2H2F2 and C2H2F2+?

Author

Gernot Frenking; Wolfram Koch; Michael Schaale

Publisher

John Wiley and Sons; Wiley (John Wiley & Sons); John Wiley & Sons Inc.; Wiley (ISSN 0192-8651)

Published

1985

Language

EN

Field

Chemistry (Physical Sciences)