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首页> 外文期刊>Crystal growth & design >Bowl-Shaped Polyarenes as Concave-Convex Shape Complementary Hosts for C_(60)- and C_(70)-Fullerenes
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Bowl-Shaped Polyarenes as Concave-Convex Shape Complementary Hosts for C_(60)- and C_(70)-Fullerenes

机译：碗形聚芳烃作为C_（60）-和C_（70）-富勒烯的凹凸形状互补主体

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摘要

The X-ray crystal structures of two new cocrystals comprised of C_(60) and C_(70) fullerenes and a dibenzo-[a,g]corannulene bowl, namely, (C_(28)H_(14))·(C_(60)) and (C_(28)H_(14))_2·(C_(70)), are reported. A clear difference is observed between C_(60) to C_(70), with the latter fullerene molecule being fully ordered and lacking the orientational disorder found in many fullerene co-crystallized products. In the solid state structure of (C_(28)H_(14))_2·(C_(70)), two bowl-shaped C_(28)H_(14) molecules encapsulate the C_(70)-cage and exhibit a preferential spatial alignment parallel to the longer axis of the fullerene. In this case, dibenzo[a,g]corannulene utilizes only its concave surface for binding, showing a staggered conformation of carbon atoms over the convex surface of C_(70)-fullerene. In the solid-state structure of (C_(28)H_(14))·(C_(60)), both convex-convex and convex-concave π···π interactions are observed between the curved surfaces of C_(28)H_(14) and C_(60). The C_(60)-core is disordered showing no preferential orientation. In both cases, the formation of π···π adducts was not observed in solutions of chlorinated benzene solvents from which the co-crystals were grown.
机译：由C_（60）和C_（70）富勒烯和二苯并[[a，g] cor戊烯碗）组成的两个新共晶体的X射线晶体结构，即（C_（28）H_（14））·（C_（ 60））和（C_（28）H_（14））_ 2·（C_（70））。在C_（60）至C_（70）之间观察到明显的差异，后者的富勒烯分子是完全有序的并且缺乏在许多富勒烯共结晶产物中发现的取向紊乱。在（C_（28）H_（14））_ 2·（C_（70））的固态结构中，两个碗形C_（28）H_（14）分子封装了C_（70）-笼，并表现出优先平行于富勒烯长轴的空间排列。在这种情况下，二苯并[a，g] corannulene仅利用其凹面进行键合，显示碳原子在C_（70）-富勒烯的凸面上交错排列。在（C_（28）H_（14））·（C_（60））的固态结构中，在C_（28）的曲面之间观察到凹凸的π···π相互作用。 H_（14）和C_（60）。 C_（60）-核是无序的，没有优先取向。在这两种情况下，在从中生长共晶的氯化苯溶剂溶液中均未观察到π··π加合物的形成。

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