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Molecules 2003, 8(5), 418-429; doi:10.3390/80500418
Article

Theoretical Study on the Interaction of o-Tetrafluorophenylene Mercury with Ethylene and Acetylene

CEQUINOR, Departamento de Química, Facultad de Ciencias Exactas, Universidad Nacional de La Plata, Calles 47 y 115, C.C. 962, La Plata 1900, Argentina
Received: 4 February 2003 / Revised: 17 March 2003 / Accepted: 20 March 2003 / Published: 31 May 2003
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Abstract

The results of a theoretical study on the interaction of o-tetrafluorophenylene mercury with ethylene and acetylene are reported. The AM1 molecular orbital semiempirical method is applied through a complete optimization procedure without any restrictions to find the optimal equilibrium geometries. The comparative capabilities of ethylene and acetylene molecules to form stable complexes with o-tetrafluorophenylene mercury are analyzed and their corresponding bonding features are discussed. Ethylene seems to be capable of forming a molecular complex while acetylene is predicted to be incapable of doing so.
Keywords: μ6-η2:η2:η2:η2:η2:η2 bonding mode – o-tetrafluorophenylene mercury – ethylene - acetylene – AM1 semiempirical method μ6-η2:η2:η2:η2:η2:η2 bonding mode – o-tetrafluorophenylene mercury – ethylene - acetylene – AM1 semiempirical method
This is an open access article distributed under the Creative Commons Attribution License (CC BY 3.0).
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Castro, E.A. Theoretical Study on the Interaction of o-Tetrafluorophenylene Mercury with Ethylene and Acetylene. Molecules 2003, 8, 418-429.

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