Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic, Prague, Czech Republic.
J Phys Chem A. 2011 Oct 20;115(41):11378-86. doi: 10.1021/jp205218k. Epub 2011 Sep 2.
Electrospray ionization mass spectrometry (ESI-MS) is used to probe the binding of small anions to the macrocycle of bambus[6]uril. For the halide ions, the experimental patterns suggest F(-) < Cl(-) < Br(-) < I(-), which is consistent with the order of anion binding found in the condensed phase. Parallel equilibrium studies in the condensed phase establish the association constants of halide anions and bambus[6]uril in mixed solvents. A detailed analysis of the mass spectrometric data is used to shed light on the correlations between the binding constants in the condensed phase and the ion abundances observed using ESI-MS. From the analysis it becomes apparent that ESI-MS can indeed represent the situation in solution to some extent, but the sampling in the gas-phase experiment is not 1:1 compared to that in solution.
电喷雾电离质谱（ESI-MS）用于探测小分子阴离子与大环杯芳烃的结合。对于卤化物离子，实验模式表明 F(-) < Cl(-) < Br(-) < I(-)，这与在凝聚相中发现的阴离子结合顺序一致。在凝聚相中进行的平行平衡研究确定了卤化物阴离子与杯芳烃在混合溶剂中的缔合常数。对质谱数据的详细分析用于揭示凝聚相中的结合常数与使用 ESI-MS 观察到的离子丰度之间的相关性。从分析中可以明显看出，ESI-MS 确实可以在某种程度上代表溶液中的情况，但与溶液相比，气相实验中的采样不是 1:1。
