Chemical Bonding - Wave function

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Discussion Overview

The discussion revolves around the wavefunction of sodium chloride (NaCl) and the concept of entanglement within its structure. Participants explore whether NaCl possesses a wavefunction, the nature of entanglement between its constituent ions, and the implications for understanding chemical bonding in this context.

Discussion Character

  • Exploratory
  • Technical explanation
  • Debate/contested

Main Points Raised

  • One participant questions if NaCl has a wavefunction and whether it is entangled.
  • Another participant suggests that the bonding in NaCl can be understood by considering the transfer of an electron from sodium to chlorine, but seeks clarification on what is meant by entanglement.
  • A reference is made to a related thread discussing wave functions of molecules, specifically questioning if sodium is entangled with chlorine in an F-center lattice.
  • One participant asserts that NaCl does have a wavefunction and posits that electrons in multielectron systems are typically entangled, though this entanglement may not be practically useful.
  • A proposal is made to consider the decomposition of the wavefunction into contributions from sodium and chlorine electrons, questioning the entanglement between these groups.
  • The concept of F-centers is introduced, with a suggestion that controlling entanglement in F-centers may be more feasible than in the broader NaCl lattice.

Areas of Agreement / Disagreement

Participants express differing views on the nature of entanglement in NaCl, with some asserting that the ions can be treated independently while others explore the potential for entanglement in specific contexts like F-centers. The discussion remains unresolved regarding the specifics of entanglement between sodium and chlorine electrons.

Contextual Notes

There are limitations in the discussion regarding the definitions of entanglement and the assumptions made about the independence of ions in NaCl. The applicability of the electrostatic description to the wavefunction and entanglement is also not fully explored.

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Any context for this question ? Did you google 'Born-Haber cycle for NaCl' ?

This kind of bonding is bluntly described by simply taking the outer electron out of the Na and propping it into the Cl

What would be entangled ?
 
Not as far as I know. We treat the ions as independent charged spheres.
You use the term 'entangled' -- what, precisely, do you mean with that ?
 
Nusc said:
Does NaCl have a wavefunction?
Yes.
Nusc said:
If so, is it entangled?
The electrons in a multielectron system like an atom, molecule, or crystal are (almost?) always entangled, but not really in any way that's useful for us. A more interesting question might be if you can decompose the wavefunction into "Na electrons" and "Cl electrons:"
$$|\Psi\rangle_{NaCl} = |\psi \rangle_{Na^+}\otimes |\psi\rangle_{Cl^-}$$
That is, are the "Na electrons" entangled with the "Cl electrons." I don't know. Probably not very, given that the simple electrostatic description that @BvU gave is a very good approximation.
Nusc said:
F-center lattice?
An F-center is a defect in a lattice. In NaCl, it would arise as a Cl- vacancy which is filled by an electron. It would probably be easier to control the entanglement of two F-centers than anything else in the NaCl lattice, but a quick google search didn't bring anything up for me. (I'm imagining entangling the spins of the F-centers like you would the spins of NV centers in diamonds.) There may be a reason why this isn't feasible in practice.
 

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