稀有气体与芳香分子的键能:吡啶的旋转光谱和动力学?霓虹灯

PhysChemComm Pub Date : 2000-01-01 DOI:10.1039/A909649C
W. Caminati, S. Melandri, A. Dell'Erba, P. Favero
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引用次数: 6

摘要

用自由射流吸收毫米波光谱法测定了在超音速膨胀中可观测到的吡嗪(Ne)配合物的旋转光谱。从光谱常数推导出了平衡构型、动力学和解离能。Ne原子相对于分子质心的平衡距离为3.26 A, Ne原子从与环质心的垂直方向向两个氮原子的中点倾斜5.8°。根据离心畸变常数DJ,估计离解能约为0.8 kJ mol?1。
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Bonding energies of rare gases with aromatic molecules: rotational spectrum and dynamics of pyridazine?neon
The rotational spectrum of the pyridazine(((Ne complex, a species observable in supersonic expansions, has been measured by free jet absorption millimeter wave spectroscopy. The equilibrium configuration, dynamics and dissociation energy have been deduced from the spectroscopic constants. The equilibrium distance of Ne with respect to the center of mass of the molecule is 3.26 A, with the Ne atom tilted by 5.8° from the perpendicular to the center of mass of the ring towards the mid-point of the two nitrogen atoms. The dissociation energy is estimated, from the centrifugal distortion constant DJ, to be ca. 0.8 kJ mol?1.
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