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Topic: 3-D electron cloud density?  (Read 3688 times)

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Offline iScience

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3-D electron cloud density?
« on: March 24, 2014, 06:27:09 AM »
would anyone know any websites out there that would give me a 3-D electron cloud density map for any compound i enter in?


thanks

Offline gjuhasz

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Re: 3-D electron cloud density?
« Reply #1 on: April 01, 2014, 01:12:26 PM »
Short answer: no, I don't

Long answer:
- It is very unlikely that there is any website that gives you such info on "any compound you type in", considering the number of known compounds. If you have specific interest, there is a much higher chance to find published data on it.
- Electron density itself is not much spectacular or informative when visualized. You may be more interested in orbitals (HOMO, LUMO etc), Fukui potential or other more informative properties.
- Such questions always beg for a "what accuracy do you need?". If you do not need anything fancy, you can perform such calculations on your own computer (using MOPAC, Firefly etc) and visualize it (using Jmol etc). 
Good luck

Offline student123

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Re: 3-D electron cloud density?
« Reply #2 on: April 04, 2014, 04:53:55 PM »
i am in primary school and i understand all of two bonds in chemical science. You have two different bonds; ionical  bond and covalentic bond ( i am not sure that i spell correct) . If you have for example compound natrium chloride, then you at first know there is ionical bond and in compound are chloride anions and natrium kations. If you have compound kalium permanganate(KMnO4) there is i think(we didn't learn that) metal bond beetwen kalium and mangan, and beetwen mangan and oxygen is ionical bond. That is all u must know about bonds. IN kovalentic bond are elements sharing electrons to each other. In  ionic bond metals broadcast electrons and non metals catch the electrons. The metals have always the charge + and non metals -

Offline Irlanur

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Re: 3-D electron cloud density?
« Reply #3 on: April 05, 2014, 03:02:29 PM »
Quote
That is all u must know about bonds.

definetly not

Quote
If you have compound kalium permanganate(KMnO4) there is i think(we didn't learn that) metal bond beetwen kalium and mangan, and beetwen mangan and oxygen is ionical bond.

that's also pretty wrong.

Offline student123

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Re: 3-D electron cloud density?
« Reply #4 on: April 06, 2014, 05:21:14 PM »
so Irlanur can you tell me more aboat bonds

Offline student123

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Re: 3-D electron cloud density?
« Reply #5 on: April 06, 2014, 05:28:12 PM »
i didnt think all about bonds like all in first mean but like enough information to understand bonds

Offline Irlanur

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Re: 3-D electron cloud density?
« Reply #6 on: April 26, 2014, 06:49:44 AM »
A chemical bond means, that two or more molecules (atoms, ions, clusters, whatever) have a lower energy if they are in proximity than if they are not. The bonds you describe are two cases which may describe a lot of bonds quite accurately, but they are anything but general.

have a look at (for example):

http://en.wikipedia.org/wiki/Ferrocene
http://en.wikipedia.org/wiki/Disodium_tetracarbonylferrate

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