Self-assembling purine and pteridine quartets: how do π-conjugation patterns affect resonance-assisted hydrogen bonding?
Self-assembling purine and pteridine quartets: how do π-conjugation patterns affect resonance-assisted hydrogen bonding?
复制标题
自组装嘌呤和蝶啶四重体：α-共轭模式如何影响共振辅助氢键？
DOI：
10.1039/c9ob02412c
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发表时间：
2020
影响因子：
3.2
通讯作者：
Wu, Judy I.
中科院分区：
文献类型：
--
作者：
Paudel, Hari Ram;Das, Ranjita;Wu, Chia-Hua;Wu, Judy I.
43个嘌呤和翼啶四合体（38 ~ 100 kcal mol−1）的结合强度与组装单体的π共轭增益呈良好的线性相关（r2 = 0.965）。即使具有相同二次静电相互作用的四重奏，也会根据单体的π共轭模式表现出截然不同的缔合强度。
Computed association strengths for 43 purine and pteridine quartets (38 to 100 kcal mol−1) show excellent linear correlation with π-conjugation gain in the assembled monomers (r2 = 0.965). Even quartets having the same secondary electrostatic interactions can display very different association strengths depending on the π-conjugation patterns of the monomeric units.