The changes of atomic charge assignments have been investigated using Natural Bond Orbital (NBO) analysis and indicate some charges have transferred to the anion from the cation.
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- 此外通过自然键轨道(NBO)分析阴阳离子间的电荷分布,发现阴阳离子间有电荷转移,且该C-H键上的氢原子电荷变化最为明显。