Question about modeling complexes

Dear Avogadro,

I am trying to model nickelocene, which is two cyclopentanes (C5H5)
bound covalently/resonantly to a nickel atom between them. The two
cyclopentanes should be planar according to the image on wikipedia.

I can’t figure out how I would enter something like this. It’s unclear
exactly what is bound to what – the nickel shares an electron with the
cyclopentane. Is it possible to input a molecule like this in a
molecular modeling program like Avogadro?

Nickelocene: http://en.wikipedia.org/wiki/Nickelocene

Thanks,
Brian

I haven’t been able to to this in Avogadro directly, but it’s possible with Marvin. Have a look at:

Best regards, Jan
=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-
Jan H. Jensen Professor
Department of Chemistry jhjensen@kemi.ku.dk
University of Copenhagen Phone: +45 35 32 02 39
Universitetsparken 5 FAX: +45 35 32 02 14
2100 Copenhagen Denmark
http://tinyurl.com/jhjensen
http://molecularmodelingbasics.blogspot.com
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On Sep 16, 2010, at 8:20 AM, Brian Neltner wrote:

Dear Avogadro,

I am trying to model nickelocene, which is two cyclopentanes (C5H5)
bound covalently/resonantly to a nickel atom between them. The two
cyclopentanes should be planar according to the image on wikipedia.

I can’t figure out how I would enter something like this. It’s unclear
exactly what is bound to what – the nickel shares an electron with the
cyclopentane. Is it possible to input a molecule like this in a
molecular modeling program like Avogadro?

Nickelocene: http://en.wikipedia.org/wiki/Nickelocene

Thanks,
Brian


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