The Band Spectra of Crystals and Complex Gases by Kahler H.

By Kahler H.

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Were degenerate); thus the ground-state configuration of the nitrogen atom was ls22s22px2py2pz rather than ls22s2(2px)2(2py), giving the maximum number of 'unpaired spins'. The molecular-orbital method uses the same approach, and if we restrict ourselves for the moment to diatomic molecules we shall see that the procedure is directly analogous to that used for atomic systems. Thus: 1. The molecular Schròdinger equation is 'solved' to provide acceptable molecular wave functions that describe molecular energy states (mole­ cular orbitals).

The other two polar 29 30 The Hydrogen A torn co-ordinates are angles. Θ is the angle between OP and the z axis; 0 is the angle between the x axis and the line ON, where N is the foot of the per­ pendicular from P on the xy plane. Some readers may be helped if we provide an everyday example of the use of polar co-ordinates, namely specifying the location of a particular point on the Earth's surface. The distance from the Earth's centre is the radial co-ordinate, r, and there are two angular co-ordinates, latitude and longitude.

This point will become increasingly significant when we come to discuss more complex molecules, since then electrons may occupy both bonding and antibonding molecular orbitals; the presence of an electron in an antibonding orbital introduces a factor opposing the formation of a stable molecule. 4 Hydrogen Molecule Ion ( H 2 + ) The molecular-orbital method is now illustrated by reference to the sim­ plest possible molecule, the hydrogen molecule ion, H 2 + , in which two pro­ tons are held together by a single electron.

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