Additional Material, Comments and Corrections to Chapter 1:
"Structure and Bonding in Organic Molecules"

In the first chapter we develop qualitative MO theory as an important tool for the description of bonding interaction in molecular systems composed of the main group elements typical for organic chemistry. The results of qualitative MO theory are then used in combination with thermochemical data to rationalize concepts such as hyperconjugation, anomeric effects, the gauche effect, molecular strain and aromaticity. The following additional material is available for this chapter:

Additional material for Figure 1.2:
Figure 1.2 features a qualitative MO scheme for the H₂ molecule together with 3D pictures of the most relevant MOs.

Additional material for Figure 1.7:
Figure 1.7 features a qualitative MO scheme for the pi-MOs of ethylene.

Additional material for Figure 1.8:
Figure 1.8 features a qualitative MO scheme for the pi-MOs of allyl cation.

Additional material for Figure 1.9:
Figure 1.9 features a qualitative MO scheme for the pi-MOs of buta-1,3-diene.

Additional material for Figure 1.11:
Figure 1.11 features selected pi-MOs of linear pi-systems (buta-1,3-diene, penta-2,3-dien-1-yl cation, hexa-1,3,5-triene, hepta-2,4,6-trien-1-yl cation, octa-1,3,5,7-teraene)

Additional material for Figure 1.12:
Figure 1.12 features a qualitative MO scheme for the pi-MOs of acetylene.

Additional material for Figure 1.17:
Figure 1.17 compares selected pi-MOs of allyl anion and enolate ion.

Additional material for Figure 1.18:
Figure 1.18 compares selected pi-MOs of buta-1,3-diene and acrolein.

Additional material for Figure 1.19:
Figure 1.19 features a qualitative MO scheme for the MOs of formaldehyde.

Additional material for Figure 1.44:
Figure 1.44 displays a 2D drawing of bonding interactions in cyclopropane together with a 3D representation of one of the C-C bond NBOs in the same system.