Instituto de Química, Universidad Nacional Autónoma de México, Circuito Exterior, Ciudad Universitaria, Delegación Coyoacán, 04510 Ciudad de México, Mexico.
Chem Commun (Camb). 2019 Jan 31;55(11):1556-1559. doi: 10.1039/c8cc06967k.
We used our recently proposed acidity-basicity interplay (ABI) model (Chem. Sci., 2018, 9, 4402) and the Jorgensen secondary interactions hypothesis (JSIH) to rationalise the experimentally observed trends in the formation constants of doubly and triply H-bonded systems with -NHO[double bond, length as m-dash]C- and -NHN- interactions. Unlike the JSIH, the ABI interpretation can explain the trends in the complexation of amide/imide homo- and heterodimers as well as ADA-DAD clusters. We found that the strongest H-bonds play a very important role, a condition which offers an alternative to the well established JSIH to modulate the stability of these relevant systems.
我们使用了我们最近提出的酸碱相互作用（ABI）模型（Chem. Sci., 2018, 9, 4402）和 Jorgensen 二次相互作用假说（JSIH）来合理化实验观察到的具有-NHO[双键，长度为 m-dash]-C-和-NHN-相互作用的双氢键和三氢键系统形成常数的趋势。与 JSIH 不同，ABI 解释可以解释酰胺/酰亚胺同和异二聚体以及 ADA-DAD 簇的络合趋势。我们发现，最强的氢键起着非常重要的作用，这一条件为调节这些相关系统的稳定性提供了另一种选择，而不是建立良好的 JSIH。
