Calculated Vibrational Properties of Ubisemiquinones
Figure 1
Structure and atomic numbering scheme for an optimized model. Various internal coordinates are also outlined. R represents bond stretching, represents a bending of the angle between two bonds, and δ represents a combination of angle bending centered at a vertex atom. For example, R4 represents a C2=C3 stretching vibration, represents a bending of the angle between the C1=C2 and C1=C6 bonds, and represents a bending vibration of the three C8–H groups.
