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Theoretical study on the interaction of o-tetrafluorophenylene mercury with ethylene and acetylene

Castro, Eduardo A · SEDICI UNLP · 2003

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Author / responsible party
Castro, Eduardo A
Publisher
SEDICI UNLP
Year
2003
Language
English

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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. Facultad de Ciencias Exactas

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APA 7

Castro, E. A. (2003). Theoretical study on the interaction of o-tetrafluorophenylene mercury with ethylene and acetylene. http://sedici.unlp.edu.ar/handle/10915/35054

MLA

Castro, Eduardo A. "Theoretical study on the interaction of o-tetrafluorophenylene mercury with ethylene and acetylene." 2003. http://sedici.unlp.edu.ar/handle/10915/35054.

Chicago

Castro, Eduardo A. 2003. "Theoretical study on the interaction of o-tetrafluorophenylene mercury with ethylene and acetylene.". http://sedici.unlp.edu.ar/handle/10915/35054.

Harvard

Castro, E. A. 2003, Theoretical study on the interaction of o-tetrafluorophenylene mercury with ethylene and acetylene, SEDICI UNLP, available at: http://sedici.unlp.edu.ar/handle/10915/35054 [Accessed 10 Aug. 2026].

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Title
Theoretical study on the interaction of o-tetrafluorophenylene mercury with ethylene and acetylene
Author / contributors
Castro, Eduardo A
Publisher
SEDICI UNLP
Publication year
2003
Language
English

Subjects

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Ciencias Exactas; Química; acetylene; μ6-η2:η2:η2: η2:η2:η2 bonding mode; ethylene; AM1 semiempirical method; ethylene-acetylene; mercury; O-tetrafluorophenylene mercury; phenazone; chemical interaction; molecular dynamics
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