论文标题
4.2微米区域中二氧化碳二聚体的光谱：分子内二氧化碳弯曲，分子间弯曲和较高的K值的对称性破裂
Spectra of CO2-N2 dimer in the 4.2 micron region: symmetry breaking of the intramolecular CO2 bend, the intermolecular bend and higher K-values for the fundamental
论文作者
论文摘要
使用可调的红外光学参数振荡器，在二氧化碳NU3非对称拉伸区（〜2350 cm-1）中观察到CO2-N2二聚体的红外光谱，以探测脉冲Slit Slit Jet Supersonic膨胀。 B型基本频段的先前结果扩展到更高的Ka值。观察到涉及最低面内分子间弯曲模式的A型组合带。这得出的值为21.4 cm-1，代表了CO2-N2的分子间模式的第一个实验测定。该分子间频率与从最近的4D分子间势能表面获得的45.9 cm-1的值矛盾。此外，将两个弱条带在2337 cm-1附近分配给CO2热带转变（V1，V2，L2，V3）=（0111）< - （0110）。由于附近N2的存在，它们产生的值为2.307 cm-1，以将退化的CO2 NU2弯曲成面内和平面成分。平面模式相对于平面外模式为较低的能量。
Infrared spectra of the CO2-N2 dimer are observed in the carbon dioxide nu3 asymmetric stretch region (~2350 cm-1) using a tunable infrared optical parametric oscillator to probe a pulsed slit jet supersonic expansion. Previous results for the b-type fundamental band are extended to higher values of Ka. An a-type combination band involving the lowest in-plane intermolecular bending mode is observed. This yields a value of 21.4 cm-1, and represents the first experimental determination of an intermolecular mode for CO2-N2. This intermolecular frequency is at odds with the value of 45.9 cm-1 obtained from a recent 4D intermolecular potential energy surface. In addition, two weak bands near 2337 cm-1 are assigned to the CO2 hot band transition (v1, v2, l2, v3) = (0111) <-- (0110). They yield a value of 2.307 cm-1 for the splitting of the degenerate CO2 nu2 bend into in-plane and out-of-plane components due to the presence of the nearby N2. The in-plane mode lies at lower energy relative to the out-of-plane mode.
