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We introduce a vector-based interpretation of the chemical bond within thequantum theory of atoms in molecules (QTAIM), the bond-path framework set$\mathbb{B} = \{p, q, r\}$, to follow variations in the 3-D morphology of allbonds for the four infra-red (IR) active normal modes of benzene. The bond-pathframework set comprises three unique paths $p$, $q$ and $r$ where $r$ is thefamiliar QTAIM bond concept of bond-path ($r$) while the two new paths $p$ and$q$ are formulated from the least and most preferred directions of electrondensity accumulation respectively. We find 3-D distortions including bondstretching/compression, torsion and curving. We introduce two fractionalmeasures to quantify these variations away from linearity of the bond.

A Vector-Based Representation of the Chemical Bond for the Normal Modes of Benzene