When you take it to its core, when forming a covalent bond, which is more accurate, the MO theory with idea of electron behaving as waves and superimposition, and idea of forming Molecular orbitals and idea of delocalized framework from MO spanning the entire molecule or Valence Bond Theory with atomic orbital overlap where electron density is generally greatest at overlap and electrons are localized. I know both have flaws and I understand aren't able to perfectly describe molecules - such as in molecular geometry or reactivity or paramagentism.
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2$\begingroup$ Both those theories are equivalent (when taken to their respective limits). $\endgroup$– Martin - マーチン ♦Commented Aug 30 at 21:58
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1$\begingroup$ VB theory does give some odd results and does not predict some properties related to spin coordinates. Also, there are cool experimental demonstrations of the validity of MO, the existence of molecular orbitals has been demonstrated. $\endgroup$– Giuseppe BasileCommented Aug 30 at 23:22
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1$\begingroup$ @Martin Both theories use different theory - for example in electron localization and Molecular orbital theory states that Molecular orbitals are produced. There should be one that most accurately describes what is analyzed/ eperimentally observed when bonds formed $\endgroup$– user155568Commented Aug 31 at 8:27
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2$\begingroup$ @user155568 you are fundamentally mistaken. Both formulations are equivalent as Martin mentioned. There is also a more modern and sophisticated version of the VB approach (GVB). Without entering into details you can find this information in many introductions to Physical Chemistry or Quantum Chemistry textbooks. I can not recommend an specific one now but I think it was discussed in an article of the Journal of Chemical Education. $\endgroup$– PAEPCommented Aug 31 at 17:10
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2$\begingroup$ @ChemLover68 you may find this article useful: Valence Bond and Molecular Orbital: Two Powerful Theories that Nicely Complement One Another, J. Chem. Educ. 2021, 98, 12, 3617–3620. pubs.acs.org/doi/10.1021/acs.jchemed.1c00919. The article is available in open access. $\endgroup$– PAEPCommented Aug 31 at 18:16
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