Can I simulate molecular structures without being a chemist?

[edpell]

I am not a chemist. I have a molecular structure question.

Is it possible to bind two positively charged molecules together by having two electrons bounce up and down in the space between them?

M1+ e e M2+

imagine the e, electrons oscillating up and down. Either in sync and 180 degree out of phase.

Is there any simulation software that I could use to simulate a situation like this? Thanks.

Ed Pell

 

[Mike H]

You may want to check out the literature on electrides and solvated electrons, as they're the closest thing I can think of that might be applicable, based on your description. The idea is that the electron serves as an anion to a cation in lieu of a typical counterion. I don't think most of them are stable under standard temperature and pressure, although I believe there are one or two that have been found.

If you can share more about your idea, I might be able to add more to this brief comment.

 

[Jorriss]

Are you asking if its possible to have two positively charged species bound together? Or particularly by electrons bouncing up and down?

Hydrogen molecule ion, H2+ is the simplest molecule and is an example of the former. The latter is not really how electrons behave, they don't just jump around a molecule like a classical particle might.

 

[ch@rlatan]

Hey edpell,

This is more an electron structure question.

M1+ e e M2+

This a charge neutral scenario. When stuff is bonded you must offset the all protons and electrons in the molecule to determine the resultant charge - though experimentally it is possible to determine if one of the molecule's constituents has more charge than the other. Here you seem to be suggesting that the 2 e's are not negating the positive charge of the 2 M's but are instead through their synchronicity/phase relationship are forming a bond between the two positively charged M's - remember electrons themselves are repulsive.

Generally electron positions - determined by probability density functions - are well understood, even in molecules i.e. cuprite, methane. The quantum nature of electrons means we can not know exactly where we will find them in the atom/molecule when we look for them let alone what they were doing before we looked i.e. oscillating.



ch@rlatan.

 

[asym]

I am not a chemist. I have a molecular structure question.

Is it possible to bind two positively charged molecules together by having two electrons bounce up and down in the space between them?

M1+ e e M2+

imagine the e, electrons oscillating up and down. Either in sync and 180 degree out of phase.

Is there any simulation software that I could use to simulate a situation like this? Thanks.

Ed Pell

You gave a very complicated description of a covalent bond, however electrons will not "bounce" in the way you suggested - they occupy a molecular orbital and their position is uncertain (read more about wavefunctions).