Weblink 15.5 The HOMO and LUMO of isobutene

The HOMO is a π bonding MO to which the 2p AO from the terminal CH₂ carbon makes a slightly larger contribution. For the LUMO, it is the AO from the other carbon which makes the larger contribution.

• Click and drag to rotate the structure; hold down shift, then click and drag to zoom.
• Select the MO to view using the menu.
• Select the type of surface using the radio buttons.
• Use the check box to display the nodal surface (zero contour - shown as a green mesh).
• Use the buttons to change the iso-surface value.