The stacking contacts between two resonance-assisted hydrogen-bridged (RAHB) rings and stacking contacts between RAHB rings and C₆-aromatic groups are frequently found at large horizontal displacements in the crystal structures found in the Cambridge Structural Database (CSD), particularly in the range of 4.0–6.0 and 5.5–6.5 Å, respectively. Ab initio calculations reveal that interactions at large offsets, although weaker than interactions at smaller offsets, can be significant, since a large portion of interaction energy (in some systems up to 66%) can be preserved upon shifting to larger offset values.

中文翻译：

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共振辅助氢桥（RAHB）环在大水平位移下的显着堆叠相互作用

在剑桥结构数据库 (CSD) 中发现的晶体结构的大水平位移处经常发现两个共振辅助氢桥 (RAHB) 环之间的堆叠接触以及 RAHB 环与 C ₆芳族基团之间的堆叠接触，特别是在范围分别为 4.0–6.0 和 5.5–6.5 Å。从头算计算表明，大偏移量处的相互作用虽然比较小偏移量处的相互作用弱，但可能很重要，因为在转移到较大的偏移量值时，可以保留大部分相互作用能量（在某些系统中高达 66%）。