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Topic: molecular orbitals diagram for transition metal  (Read 2230 times)

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Offline gkasparis

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molecular orbitals diagram for transition metal
« on: October 08, 2015, 10:15:33 AM »
Hello everyone

I am trying to construct a molecular orbital diagram of [Fe(H2O)6]3+ to study the molecular mechanism of water displacement by OH-. Then, by having molecular orbital diagrams for both i hope to probe some differences between the two that could possibly be studied by some sort of spectroscopy. Is anyone an inorganic chem expert to help construct these diagrams? Do you by any chance know a brilliant source? (current textbooks i own are not really helpful beyond di/tri atomics)

Offline Irlanur

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Re: molecular orbitals diagram for transition metal
« Reply #1 on: October 09, 2015, 02:51:15 PM »
That's a very simple example of an octahedral complex. any inorganic textbook should deal with this (Huheey: http://www.amazon.de/Inorganic-Chemistry-Principles-Structure-Reactivity/dp/006042995X).

Quote
study the molecular mechanism of water displacement by OH-
It's very likely that this has been done before. Also, I would think that a deprotonation is probably more likely than "replacement".

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