Molecular orbital theory 2026-10-13
First make the interference visible with an exactly normalized one-dimensional toy. Replace the three-dimensional atomic orbitals of the hydrogen atom by two Gaussian functions centred at , with dimensionless and :
The normalized sum and difference are , following the same linear combination of atomic orbitals algebra. At , the orbital overlap is . At the midpoint, , giving
Both probability densities have total integral one: interference redistributes probability, rather than creating an extra Electron. These are toy wavefunctions, not actual hydrogen atom orbitals or predictions of molecular hydrogen energies.
Figure 1.
Normalized one-dimensional Gaussian function toy: signed probability amplitudes add or cancel before their squares give probability densities
. Centres at and give orbital overlap . The difference has a zero at the midpoint; its negative lobe does not carry positive electric charge. All density curves shown are normalized on the line, rather than in three-dimensional space. Details.
Now fill the two -derived molecular orbitals in the minimal model. The lower bonding molecular orbital is labelled ; the upper antibonding molecular orbital is . The Pauli exclusion principle permits at most two Electrons in each spatial molecular orbital, with opposite spin projections along a chosen axis. For the lowest electron configuration in this model, fill first. The subscripts and denote even and odd behaviour under inversion through the midpoint; the star marks an antibonding molecular orbital. See Flowers et al., Chemistry 2e, 8.4: occupancy and bond order and Field, MIT 5.61, lecture 25, pp. 1–3: bonding, antibonding, and symmetry labels.
With Electrons in bonding molecular orbitals and in antibonding molecular orbitals, the model's bond order is . The three elementary counts are:
Figure 2.
Schematic molecular orbital occupancy for , , and : bond orders one, one half, and zero
. Each horizontal line is one spatial molecular orbital; paired arrows represent opposite spin projections. Vertical positions show ordering only, with arbitrary gaps rather than measured energies or a common scale across species. Details.
The useful surprise is that sharing alone does not determine a chemical bond: the relative quantum phase and the occupancy matter together. The same two shapes explain why adding an Electron to a bonding molecular orbital increases the model's bond order, while adding one to an antibonding molecular orbital decreases it. Molecular orbital theory also accounts for the unpaired Electrons and paramagnetism of molecular oxygen, which its all-paired Lewis structure misses. See Chemistry 2e, 8.4: the molecular orbital description of oxygen.
Paratope 2026-10-13
A paratope is the recognizing surface on an antibody; the epitope is the recognized feature on its antigen. Contacts depend on spatial arrangement and chemistry, including hydrogen bonds and Van der Waals forces. Thus a paratope is not simply a slot for a protein primary structure string. A folded protein can bring distant amino acid residues into one epitope. [ref]
Solvation 2026-10-14
Solvation is stabilization through interactions between a solute and its solvent. It involves both the solute's surroundings and reorganization of the solvent: neighbors move, orientations change, and existing interactions compete with new ones. Electric forces, Van der Waals forces, and specific interactions such as hydrogen bonds can contribute. Solvation can also occur at groups on an insoluble material, so it does not require complete dissolution.[ref]
Solvation by water is called hydration. Hydration of ions is the charged special case, but neutral molecules such as sucrose can also interact with water without becoming ions. A hydrated cation retains its positive net electric charge; orienting neutral water molecules around it does not supply an extra Electron. Dissolution, desolvation, and ionization describe different changes, as the examples below show.[ref][ref]
The useful question is therefore not just whether a solute attracts a solvent, but how much the whole system gains after paying for the rearrangements. Solvation free energy describes a specified transfer into a solvent; solvation thermodynamic balance explains why even cooling during dissolution can accompany favorable mixing. The existing solubility discussion concerns how much remains dissolved at chemical equilibrium.