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Fullerene-Mediated Aggregation of M25(SR)18– (M = Ag, Au) Nanoclusters
The Journal of Physical Chemistry C ( IF 3.3 ) Pub Date : 2020-06-10 , DOI: 10.1021/acs.jpcc.0c03383 Papri Chakraborty 1 , Abhijit Nag 1 , Biswajit Mondal 1 , Esma Khatun 1 , Ganesan Paramasivam 1 , Thalappil Pradeep 1
The Journal of Physical Chemistry C ( IF 3.3 ) Pub Date : 2020-06-10 , DOI: 10.1021/acs.jpcc.0c03383 Papri Chakraborty 1 , Abhijit Nag 1 , Biswajit Mondal 1 , Esma Khatun 1 , Ganesan Paramasivam 1 , Thalappil Pradeep 1
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We report fullerene (C60 and C70)-induced aggregation of atomically precise clusters, taking M25(SR)18– (M = Ag, Au and −SR is a thiolate ligand) clusters as an example. We show that dimers, trimers, tetramers, and even higher aggregates of the clusters can be created by supramolecular interaction with fullerenes. Adducts such as [{M25(SR)18}n(C60)]n− (n = 1–5), [{M25(SR)18}n(C60)n−1]n− (n = 2–5), and [{M25(SR)18}n(C60)n]n− (n = 1, 2, 3, ..., etc.) were formed, which were studied by electrospray ionization mass spectrometry. Similar adducts with C70 were also observed. Structural insights were obtained from molecular docking and density functional theory calculations. Computational studies predicted the possibility of isomerism in some of these adducts. Fullerenes linked multiple clusters, causing aggregation. Fullerenes and clusters formed host–guest complexes in such assemblies. The possibilities of coassembly between the clusters and the fullerenes were also studied in the solid state. The nature of adducts observed in the case of M25(SR)18– was completely different compared to the previously reported fullerene adducts of [Ag29(BDT)12]3– (where BDT is 1,3-benzene dithiol), in which multiple fullerenes were attached on the surface of a single cluster. Supramolecular aggregates formed in the case of M25(SR)18– were independent of the nature of the metal atoms (Ag or Au). This implied that for an appropriate geometry of the cluster weak interactions with the ligands and ion-induced dipole interactions were more important in controlling the complexation compared to the metallophilic interactions. Exploring the interaction of atomically precise clusters with fullerenes is important, as the resulting adducts can show new properties such as isomerism, chirality, charge transfer, or enhanced optical properties.
中文翻译：
富勒烯介导的M 25（SR）18 –（M = Ag，Au）纳米团簇的聚集
我们以富勒烯（C 60和C 70）诱导的原子精确团簇聚集为例，以M 25（SR）18 –（M = Ag，Au和-SR为硫醇盐配体）团簇为例。我们显示二聚体，三聚体，四聚体，甚至更高的聚集体可以通过富勒烯的超分子相互作用而产生。加合物如[{M 25（SR）18 } Ñ（C 60）] ñ - （Ñ = 1-5），[{M 25（SR）18 } Ñ（C 60）ñ -1 ] ñ -（Ñ = 2-5），和[{M 25（SR）18 } Ñ（C 60）ñ ] ñ - （Ñ =，2，3，...，等等1）形成，通过研究了电喷雾电离质谱。与C 70相似的加合物还观察到。结构见解是从分子对接和密度泛函理论计算中获得的。计算研究预测了其中一些加合物存在异构现象的可能性。富勒烯链接了多个簇，导致聚集。富勒烯和团簇在此类组装物中形成了主客体复合物。还在固态中研究了簇和富勒烯之间的共组装的可能性。在M 25（SR）18 –情况下观察到的加合物的性质与先前报道的[Ag 29（BDT）12 ] 3–的富勒烯加合物完全不同。（其中BDT是1,3-苯二硫醇），其中多个富勒烯连接在单个簇的表面上。形成于M的情况下超分子聚集25（SR）18 -是独立的金属原子（Ag或Au）的性质。这暗示了对于簇的适当几何形状，与亲金属相互作用相比，与配体的弱相互作用和离子诱导的偶极相互作用在控制络合方面更为重要。探索原子精确团簇与富勒烯的相互作用非常重要，因为生成的加合物可以显示出新的性质，例如异构性，手性，电荷转移或增强的光学性质。
更新日期：2020-07-09
中文翻译：
富勒烯介导的M 25（SR）18 –（M = Ag，Au）纳米团簇的聚集
我们以富勒烯（C 60和C 70）诱导的原子精确团簇聚集为例，以M 25（SR）18 –（M = Ag，Au和-SR为硫醇盐配体）团簇为例。我们显示二聚体，三聚体，四聚体，甚至更高的聚集体可以通过富勒烯的超分子相互作用而产生。加合物如[{M 25（SR）18 } Ñ（C 60）] ñ - （Ñ = 1-5），[{M 25（SR）18 } Ñ（C 60）ñ -1 ] ñ -（Ñ = 2-5），和[{M 25（SR）18 } Ñ（C 60）ñ ] ñ - （Ñ =，2，3，...，等等1）形成，通过研究了电喷雾电离质谱。与C 70相似的加合物还观察到。结构见解是从分子对接和密度泛函理论计算中获得的。计算研究预测了其中一些加合物存在异构现象的可能性。富勒烯链接了多个簇，导致聚集。富勒烯和团簇在此类组装物中形成了主客体复合物。还在固态中研究了簇和富勒烯之间的共组装的可能性。在M 25（SR）18 –情况下观察到的加合物的性质与先前报道的[Ag 29（BDT）12 ] 3–的富勒烯加合物完全不同。（其中BDT是1,3-苯二硫醇），其中多个富勒烯连接在单个簇的表面上。形成于M的情况下超分子聚集25（SR）18 -是独立的金属原子（Ag或Au）的性质。这暗示了对于簇的适当几何形状，与亲金属相互作用相比，与配体的弱相互作用和离子诱导的偶极相互作用在控制络合方面更为重要。探索原子精确团簇与富勒烯的相互作用非常重要，因为生成的加合物可以显示出新的性质，例如异构性，手性，电荷转移或增强的光学性质。
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