Ion Mobility Mass Spectrometry uncovers guest‐induced distortions in a supramolecular organometallic metallosquare
Ion Mobility Mass Spectrometry uncovers guest‐induced distortions in a supramolecular organometallic metallosquare
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离子淌度质谱法揭示了超分子有机金属金属方阵中客体引起的畸变
DOI：
10.1002/ange.202100914
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发表时间：
2021
影响因子：
--
通讯作者：
Gusev, Dmitri
中科院分区：
文献类型：
--
作者：
Peris, Eduardo Victor;Vicent, Cristian;Martinez-Agramunt, Victor;Gandhi, Viraj;Larriba-Andaluz, Carlos;Gusev, Dmitri
采用电喷雾离子迁移质谱（ESI TWIM-MS）研究了四个芘-双-咪唑亚基配体[1]4+与一系列有机分子的包封。该方法允许确定碰撞截面（CCS），其用于评估客体分子包封后主体经历的尺寸变化。当富勒烯被用作客体时，C60或C70的主体分别扩展为ΔCCS 13 <$2和23 <$2。 金属矩形[1]4+还用于包封一系列多环芳烃（PAH）和萘四甲酸二酰亚胺（NTCDI），以形成式[（NTCDI）2（PAH）@1]4+的配合物。对于这些主体：客体加合物，ESI IM-MS研究显示[1]4+膨胀47-49 Ω 2。 通过DFT计算得到了[1]4+，[C60@1]4+，[C70@1] 4+，[（NTCDI）2（corannulene）@1]4+在气相中的能量最小结构。
The encapsulation of the tetracationic palladium metallosquare with four pyrene‐bis‐imidazolylidene ligands [1]4+with a series of organic molecules was studied by Electrospray ionization Travelling Wave Ion‐Mobility Mass Spectrometry (ESI TWIM‐MS). The method allowed to determine the Collision Cross Sections (CCSs), which were used to assess the size changes experienced by the host upon encapsulation of the guest molecules. When fullerenes were used as guests, the host is expanded ΔCCS 13 Å2and 23 Å2, for C60or C70, respectively. The metallorectangle [1]4+was also used for the encapsulation of a series of polycyclic aromatic hydrocarbons (PAHs) and naphthalenetetracarboxylic diimide (NTCDI), to form complexes of formula [(NTCDI)2(PAH)@1]4+. For these host:guest adducts, the ESI IM‐MS studies revealed that [1]4+is expanded by 47–49 Å2.. The energy‐minimized structures of [1]4+, [C60@1]4+, [C70@1]4+, [(NTCDI)2(corannulene)@1]4+in the gas phase were obtained by DFT calculations.Introduction