Nitrogen: A New Class of π-Bonding Partner in Hetero π-Stacking Interaction,The Journal of Physical Chemistry A

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Nitrogen: A New Class of π-Bonding Partner in Hetero π-Stacking Interaction
The Journal of Physical Chemistry A ( IF 2.7 ) Pub Date : 2017-11-15 00:00:00 , DOI: 10.1021/acs.jpca.7b08164
N. Ramanathan ₁ , K. Sankaran ₁ , K. Sundararajan ₁

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Spectroscopy under isolated conditions at low temperatures is an excellent tool to characterize the aggregates stabilized through weak interactions. Within the framework of weak interactions, the π-stacking interactions are considered unconventional with the limited experimental proofs, wherein the bonding associates are either aromatic and heterocyclic compounds or their combinations. Besides aromatic compounds, π-stacking networks can even be realized with molecules possessing electron rich π-clouds. In this work, the N₂ molecule as a possible π-bonding partner is explored for the first time in which hetero π-stacking was achieved between pyrrole and N₂ precursors. The matrix isolation experiments performed by seeding pyrrole and N₂ mixtures in an Ar matrix at low temperatures with subsequent infrared spectral characterization revealed the generation of adducts stabilized through a π(pyrrole)···π(N₂) interaction. Under identical conditions with the likelihood of two competing π-stacking and hydrogen-bonding interactions in pyrrole–N₂ associates, π-stacking dominates energetically over hydrogen-bonding interaction.

中文翻译：

氮：杂合π-堆叠相互作用中的新型π-键结合伙伴

低温下在隔离条件下的光谱学是表征通过弱相互作用稳定的聚集体的出色工具。在弱相互作用的框架内，在有限的实验证明下，π-堆叠相互作用被认为是非常规的，其中键合缔合体是芳族和杂环化合物或其组合。除芳香族化合物外，π堆积网络甚至可以通过具有富电子的π云的分子来实现。在这项工作中，首次探索了N ₂分子作为可能的π键配偶体的方法，其中在吡咯和N ₂前驱体之间实现了异π堆积。通过接种吡咯和N ₂进行基质分离实验混合物在低温下在Ar基体中的混合物以及随后的红外光谱特征表明，通过π（吡咯）···π（N ₂）相互作用稳定了加合物的生成。在相同的条件下，在吡咯-N ₂缔合体中可能发生两个竞争的π堆积和氢键相互作用，π堆积在能量上胜过氢键相互作用。

更新日期：2017-11-16

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