Is MO theory the most accurate model for atomic bonding?

In summary, MO theory is considered the most accurate model for atomic bonding. It can be used to predict paramagnetism and diamagnetism, and is based on the concept of molecular orbitals. VB theory is a descriptive picture of the math, but has also evolved into a quantitative method. The orbital picture is a highly accurate way of understanding chemical bonding, but it is important to note that orbitals themselves do not physically exist. MO and VB theory do not account for diamagnetism, but VB theory has been shown to accurately predict paramagnetism in certain cases. These models serve as the "language" of chemical bonding and are used to interpret results even in high-level quantum-chemical calculations.
  • #1
cnidocyte
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Is MO theory the most accurate model for atomic bonding we have so far? I've seen how it can be used to predict paramagnetism and diamagnetism but the idea of antibonding electrons and orbitals is seems fairly bizarre to me.
 
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  • #2
What does MO stand for by the way? Molecular Orbital?

if so, then yes, it is the most accurate to my knowledge.
 
  • #3
Well, MO theory is mostly just a descriptive picture, or an interpretation of the math, so to speak. So was VB theory originally, but it's evolved into a quantitative method as well. ("Modern" VB theory and what they call the "Tight-Binding Approximation" in Solid-State physics)

They're both good pictures. The orbital picture in general is a very accurate way of looking at things. (But it's not something which exists. When you're talking orbitals you're actually talking about a particular mathematical description of a thing, not the thing) The matter of which orbitals exist (given a theoretical framework that usees them) and whether they're bonding or antibonding etc is exact and a straightforward mathematical result from group theory.

Neither MO theory or VB theory says anything about diamagnetism AFAIK though. Many textbooks state that VB theory cannot account for the paramagnetism of O2; this is actually not true. As Shaik explains*, VB theory doesn't really have a problem with this and never really did. (It seems it's all due to a statement Lennard-Jones made http://www.chemteam.info/Chem-History/Lennard-Jones-1929/Lennard-Jones-1929.html" , concerning Heitler-London VB theory)

There does exist compounds and situations where neither of these pictures give a good idea of what's going on though. Be2 for instance, which is more strongly bound than either MO or VB theory would lead one to believe.

In any case, these models are essentially the "language" of chemical bonding. Even if you're doing high-level quantum-chemical calculations with no direct relationship to either theory, the results still get interpreted and viewed through the picture provided by these models.

* Shaik, Hiberty, "A chemist's guide to valence bond theory", Chapter 1
 
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FAQ: Is MO theory the most accurate model for atomic bonding?

What is molecular bonding theory?

Molecular bonding theory is a scientific theory that explains the way atoms come together to form molecules. It describes the forces and interactions between atoms that allow them to bond and create stable compounds.

What are the types of molecular bonds?

The three main types of molecular bonds are ionic, covalent, and metallic bonds. Ionic bonds involve the transfer of electrons between atoms, covalent bonds involve the sharing of electrons between atoms, and metallic bonds involve the delocalization of electrons between metal atoms.

How does molecular bonding affect the properties of a substance?

Molecular bonding greatly affects the properties of a substance. The type of bond and the strength of the bond between molecules determines properties such as melting and boiling points, solubility, and conductivity.

What is the role of valence electrons in molecular bonding?

Valence electrons, or the outermost electrons of an atom, play a crucial role in molecular bonding. They are involved in the formation of bonds and determine the reactivity and chemical properties of an element.

How does molecular bonding theory explain the shapes of molecules?

Molecular bonding theory helps to explain the shapes of molecules through the concept of electron pair repulsion. This theory states that electrons in the outermost energy level of an atom will repel each other, causing molecules to adopt specific shapes in order to minimize this repulsion.

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