论文标题
大气分子的虚弱簇：红外光谱和结构计算（co $ _2 $）$ _ n $ - （co）$ _ m $ - （n $ _2 $）$ _ p $，$ _ p $，$（n，m，m，p）$ =（n，m，p）$ =（2，1，0） 0），（1，0，3），（1，2，1），（1，1，2）
Weakly-bound clusters of atmospheric molecules: infrared spectra and structural calculations of (CO$_2$)$_n$-(CO)$_m$-(N$_2$)$_p$, $(n, m, p)$ = (2, 1, 0), (2, 0, 1), (1, 2, 0), (1, 0, 2), (1, 1, 1), (1, 3, 0), (1, 0, 3), (1, 2, 1), (1, 1, 2)
论文作者
论文摘要
据报道，含有CO $ _2 $的三聚体和/或n $ _2 $的结构计算和高分辨率红外光谱。在此处研究的9个群集中，仅通过高分辨率光谱观察到（CO $ _2 $）$ _ 2 $ -CO。使用可调的光学参数振荡器源记录了Co $ _2 $（〜2350 cm $^{ - 1} $）$ν_3$基本区域的光谱，以探测脉冲的超音速slit slit jet Expention。 Trimers（Co $ _2 $）$ _ 2 $ -CO和（CO $ _2 $）$ _ 2 $ -n $ _2 $具有结构，其中CO或N $ _2 $沿着交错的侧面侧面CO $ _2 $ dimer单位的对称轴对齐。 （CO $ _2 $）$ _ 2 $ -CO和（CO $ _2 $）$ _ 2 $ -n $ _2 $观察两个基本乐队（CO $ _2 $）$ _ 2 $ -CO，这表明此CO $ _2 $ dimer单位是非平面单位，与（co $ _2 $ _2 $）$ _ 2 $本身不同。对于Trimers Co $ _2 $ - （CO）$ _ 2 $和CO $ _2 $ - （n $ _2 $）$ _ 2 $，CO或N $ _2 $单体在Co $ _2 $的“赤道平面”中占据同等位置，指向其C Atom。要形成Tetramers Co $ _2 $ - （CO）$ _ 3 $和CO $ _2 $ - （n $ _2 $）$ _ 3 $，第三co或n $ _2 $单体，然后将其添加到前两个的“侧面”。在混合的四聚体中$ _2 $ - （co）$ _ 2 $ -n $ _2 $和CO $ _2 $ -CO-（n $ _2 $）$ _ 2 $，此“侧面”位置由N2而不是CO。除了基本频段，组合频段外，还针对（CO $ _2 $ _2 $ _2 $ _2 $ _2 22 22 22 $ _ 2 2 2 2 2 2 $ _ 2 2 $ _）和CO $ _2 $ - （n $ _2 $）$ _ 2 $，得出有关其低频间分子振动的一些信息。
Structural calculations and high-resolution infrared spectra are reported for trimers and tetramers containing CO$_2$ together with CO and/or N$_2$. Among the 9 clusters studied here, only (CO$_2$)$_2$-CO was previously observed by high-resolution spectroscopy. The spectra, which occur in the region of the $ν_3$ fundamental of CO$_2$ (~2350 cm$^{-1}$), were recorded using a tunable optical parametric oscillator source to probe a pulsed supersonic slit jet expansion. The trimers (CO$_2$)$_2$-CO and (CO$_2$)$_2$-N$_2$ have structures in which the CO or N$_2$ is aligned along the symmetry axis of a staggered side-by-side CO$_2$ dimer unit. The observation of two fundamental bands for (CO$_2$)$_2$-CO and (CO$_2$)$_2$-N$_2$ shows that this CO$_2$ dimer unit is non-planar, unlike (CO$_2$)$_2$ itself. For the trimers CO$_2$-(CO)$_2$ and CO$_2$-(N$_2$)$_2$, the CO or N$_2$ monomers occupy equivalent positions in the 'equatorial plane' of the CO$_2$, pointing toward its C atom. To form the tetramers CO$_2$-(CO)$_3$ and CO$_2$-(N$_2$)$_3$, a third CO or N$_2$ monomer is then added off to the 'side' of the first two. In the mixed tetramers CO$_2$-(CO)$_2$-N$_2$ and CO$_2$-CO-(N$_2$)$_2$, this 'side' position is taken by N2 and not CO. In addition to the fundamental bands, combination bands are also observed for (CO$_2$)$_2$-CO, CO$_2$-(CO)$_2$, and CO$_2$-(N$_2$)$_2$, yielding some information about their low-frequency intermolecular vibrations.
