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首页> 外文期刊>Physical chemistry chemical physics: PCCP >Large amplitude motion within acetylene-rare gas complexes hosted in helium droplets
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Large amplitude motion within acetylene-rare gas complexes hosted in helium droplets

机译:在氦液滴中托管的乙炔 - 稀有气体复合物内的大振幅运动

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摘要

Near-infrared spectroscopy of the C2H2-Ar, Kr complexes was performed in the spectral region overlapping the nu(3)/nu(2) + nu(4) + nu(5) Fermi-type resonance of C2H2. The experiment was conducted along the HElium NanoDroplet Isolation (HENDI) technique in order to study the coupling dynamics between a floppy molecular system (C2H2-Ar and C2H2-Kr) and a mesoscopic quantum liquid (the droplet). Calculations were performed using a spectral element based close-coupling program and state-of-the-art 2-dimensional potential energy surfaces to determine the bound states of the C2H2-Ar and C2H2-Kr complexes and simulate the observed spectra. This furnished a quantitative basis to unravel how the superfluid and non-superfluid components of the droplet affect the rotation and the deformation dynamics of the hosted complex.
机译:C2H2-Ar的近红外光谱,Kr复合物在重叠的光谱区中进行,C2H2的Nu(3)/ Nu(2)+ Nu(4)+ Nu(5)Fermi型共振的重叠。 沿氦纳米杆分离(Hendi)技术进行实验,以研究软缺药物系统(C 2 H 2-Ar和C 2 H 2-KR)和介术量子液体(液滴)之间的耦合动力学。 使用基于频谱元素的近耦合程序和最先进的二维电位能量表面来执行计算,以确定C2H2-AR和C2H2-KR复合物的结合状态并模拟观察到的光谱。 这为解开了定量的基础,以解开液滴的超流和非超流量组件如何影响托管复合物的旋转和变形动态。

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