论文标题
X基载体的后代和“质量为69”：红外动作光谱检测HC $ _3 $ o $ $^+$和HC $ _3 $ S $^+$
Descendant of the X-ogen carrier and a "mass of 69": Infrared action spectroscopic detection of HC$_3$O$^+$ and HC$_3$S$^+$
论文作者
论文摘要
碳链离子HC $ _3 $ o $^+$和hc $ _3 $ s $^+$ - 首次使用两个低温22杆22杆型离子陷阱设备（Felap，coltrap）（Felap，coltrap）和两个免费的Electr frarron lastred froceririririririririririririririons（Felrrrrar frocerix fortrrrrrrrrrrrrrrrrrr rrrrrrrrrrrrr rarrrrrrrrr frocerix），首次观察到了著名的“ X -Ogen”线载体HCO $^+$ - 较长的变体。 500和2500 cm $^{ - 1} $以及在3200 cm $^{ - 1} $附近运行的光学参数振荡器;通过红外预性作用光谱检测到两个实验的信号。观察到大多数振动基本原理，与它们的振动波数相比，与在耦合群集理论水平上执行的高级非旋转力场计算结果相比，相比之下。随着操作光谱方案探究了NE标记的弱绑定变体，NE $ -HC $ _3 $ o $ $^+$和NE $ -HC $ _3 $ _3 $ S $^+$，也执行了这些系统的相应计算。发现裸离子及其NE标记的复合物之间的结构和分子力场的差异很小。
The carbon chain ions HC$_3$O$^+$ and HC$_3$S$^+$ - longer variants of the famous "X-ogen" line carrier HCO$^+$ - have been observed for the first time using two cryogenic 22-pole ion trap apparatus (FELion, Coltrap) and two different light sources: the Free Electron Laser for Infrared eXperiments (FELIX), which was operated between 500 and 2500 cm$^{-1}$ and an optical parametric oscillator operating near 3200 cm$^{-1}$; signals from both experiments were detected by infrared predissociation action spectroscopy. The majority of vibrational fundamentals were observed for both ions and their vibrational wavenumbers compare very favorably with results from high-level anharmonic force field calculations performed here at the coupled-cluster level of theory. As the action spectroscopic scheme probes the Ne-tagged weakly bound variants, Ne$-$HC$_3$O$^+$ and Ne$-$HC$_3$S$^+$, corresponding calculations of these systems were also performed. Differences in the structures and molecular force fields between the bare ions and their Ne-tagged complexes are found to be very small.
