We use a new interpretation of the chemical bond within QTAIM, the bond-path framework set B= {p, q, r} with associated linkages with lengths H^∗, H and the familiar bond-path length is used to describe a torsion θ, 0.0° ≤ θ < 22.0° of para-substituted biphenyl, C₁₂H₉-x, x = N(CH₃)₂, NH₂, CH₃, CHO, CN, NO₂. We include consideration of the H---H bonding interactions and find that the lengths H > H^∗ that we explain in terms of the most and least preferred directions of charge density accumulation. We also consider the fractional eigenvector-following path with lengths H_f and H_fθmin.

中文翻译：

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基于化学键的联苯取代扭转的化学键的向量表示

我们对QTAIM中的化学键使用了新的解释，即键路径框架集B = { p，q，r }及其相关联的长度为H ^∗，H的键，并且熟悉的键路径长度用于描述扭转θ ，C ₁₂ H ₉ -x的对位取代联苯的0.0°≤θ<22.0° ，x = N（CH ₃）₂，NH ₂，CH ₃，CHO，CN，NO ₂。我们考虑了H --- H键相互作用，发现长度H> H ^∗我们将根据电荷密度累积的最佳和最不优选的方向进行解释。我们还考虑了长度为H _f和_{Hfθmin的分数阶}本征向量跟随路径。