Next Article in Journal
Structures and Chemical Equilibria of Some N-Heterocycles Containing Amide Linkages
Previous Article in Journal
Synthesis and Structure of bis(Dibutyldithiocarbamate)zinc(II): Zn2[(n-Bu)2NCSS]4
Molecules 2003, 8(5), 418-429; doi:10.3390/80500418
Article

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

Received: 4 February 2003 / Revised: 17 March 2003 / Accepted: 20 March 2003 / Published: 31 May 2003
Download PDF [427 KB, uploaded 18 June 2014]

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 which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

Share & Cite This Article

Further Mendeley | CiteULike
Export to BibTeX |
EndNote
MDPI and ACS Style

Castro, E.A. Theoretical Study on the Interaction of o-Tetrafluorophenylene Mercury with Ethylene and Acetylene. Molecules 2003, 8, 418-429.

View more citation formats

Related Articles

Article Metrics

For more information on the journal, click here

Comments

Cited By

[Return to top]
Molecules EISSN 1420-3049 Published by MDPI AG, Basel, Switzerland RSS E-Mail Table of Contents Alert