论文标题
通过原子库仑探针显微镜测量分子阳离子的电荷分布
Measuring charge distribution of molecular cations by atomic Coulomb probe microscope
论文作者
论文摘要
成像分子和簇的电荷分布和结构将促进对量子系统动力学的理解。在这里，我们通过使用AR Atom作为提示来探测气相中苯（BZ）阳离子的电荷分布的方法。值得注意的是，测得的Bz阳离子的电荷分布（QH = 0.204，QC = -0.037）和DITACH（QH = 0.248，QC = 0.0853）与计算出的Mulliken分布非常吻合，并且使用测量的电荷分布将BZ DIMER的结构与BZ Dimer的结构相结合。两个Bz二聚体异构体（T形和PD异构体）的结构可以从测得的两个BZ离子之间的分子间电位V（R）分辨出来，而BZ二聚体的结构与理论预测很好地一致。
Imaging the charge distributions and structures of molecules and clusters will promote the understanding of the dynamics of the quantum system. Here, we report a method by using an Ar atom as a tip to probe the charge distributions of benzene (Bz) cations in gas phase. Remarkably, the measured charge distributions of Bz cation (QH =0.204,QC=-0.037)and dication (QH =0.248,QC=0.0853)agree well with the calculated Mulliken distributions,and the structures of Bz dimer is reconstructed by using the measured charge distributions. The structures of two Bz dimer isomers (T-shaped and PD isomers) can be resolved from the measured inter-molecular potential V(R) between two Bz ions, and the structures of Bz dimer agree well with the theoretical predictions.
