π-Choreography in aromatic ammonium formate solids†,CrystEngComm

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π-Choreography in aromatic ammonium formate solids†
CrystEngComm ( IF 2.6 ) Pub Date : 2018-03-12 00:00:00 , DOI: 10.1039/c8ce00198g
Carl D. Oberle _{1,

2,

3} , Dylan G. Bequette _{1,

2,

3} , Taylor K. Brewer _{1,

2,

3} , Traviona R. R. Terry _{1,

2,

3} , Alicia M. Beatty _{1,

2,

3}

Affiliation

π-Interactions are a crucial factor in how aromatic ring systems are arranged and organized in the solid state. While these interactions are typically referred to as “π–π stacking interactions”, in reality, π–π stacking (direct overlap of rings) is a special case of interaction that is relatively uncommon, and is reserved for specifically tuned rings, typically those polarized by their substituents. More typically, a variety of other interactions involving the π-system of the aromatic rings exist in the solid state. These include the common offset (or “slipped”) π-interaction (really C–H⋯π) and C–H⋯π T-shaped arrangements. We have chosen an experimental approach to determine the likelihood of encountering π-interactions in two sets of layered salts. In both cases, benzylamines are used for the cations; however, the anion in one case is formate, and in the other is the mono-anion of pyrazoledicarboxylic acid (HPzDCA). To investigate and analyze the π-interactions found in each case, we report on eight new benzylammonium formate lamellar structures. These weak interactions are then compared to similar structures found in the Cambridge Structural Database, and to the HPzDCA case. This represents an analysis of the natural organization and directing of molecules containing aryl moieties when given the chance to self-assemble.

中文翻译：

芳族甲酸铵固体中的π色谱†

π相互作用是芳香环系统如何以固态排列和组织的关键因素。虽然这些相互作用通常称为“π-π堆积相互作用”，但实际上，π-π堆积（环的直接重叠）是一种相对罕见的相互作用的特例，并且保留给特定调整的环，通常是那些被其取代基极化。更典型地，涉及芳香环的π-系统的多种其他相互作用以固态存在。这些包括常见的偏移（或“滑动”）π相互作用（确实为C–H⋯π）和C–H⋯πT形排列。我们选择了一种实验方法来确定在两组分层盐中遇到π相互作用的可能性。在两种情况下，均使用苄胺作为阳离子。但是，在一种情况下，阴离子是甲酸盐，另一个是吡唑二羧酸的单阴离子（HPzDCA）。为了调查和分析在每种情况下发现的π相互作用，我们报告了八个新的甲酸苄基铵铵层状结构。然后将这些微弱的相互作用与在剑桥结构数据库中找到的相似结构进行比较，并与HPzDCA案例进行比较。这表示对包含芳基部分的分子自组装时的自然组织和定向的分析。

更新日期：2018-03-12

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