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Infrared spectroscopy of HCN-salt complexes formed in liquid-helium nanodroplets

机译:液氦纳米液滴中形成的HCN-盐配合物的红外光谱

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Rotationally resolved infrared spectra are reported for the binary complexes of HCN and LiF,LiCl,NaF,and NaCl,formed in helium nanodroplets.Stark spectroscopy is used to determine the dipole moments for these complexes.Ab initio calculations are also reported for these complexes,revealing the existence of several different isomers of these binary systems.In the frequency region examined in this experimental study we only observe one of these,corresponding to the salt binding to the nitrogen end of the HCN molecule.The experimental rotational constants,dipole moments,and vibrational frequency shifts are all compared with the results from ab initio calculations for this isomer.
机译:报道了在氦纳米液滴中形成的HCN和LiF,LiCl,NaF和NaCl的二元配合物的旋转分辨红外光谱。使用斯塔克光谱法确定这些配合物的偶极矩。还报道了这些配合物的Ab从头算,揭示了这些二元体系存在几种不同的异构体。在本实验研究的频率区域中,我们仅观察到其中之一,这与盐与HCN分子氮端的结合相对应。实验旋转常数,偶极矩,并且将振动频移与该异构体的从头算计算的结果进行比较。

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