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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >High Resolution Electronic Spectrum of the N_2 van der Waals Complex of p-Difluorobenzene. Structure and Internal Motion
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High Resolution Electronic Spectrum of the N_2 van der Waals Complex of p-Difluorobenzene. Structure and Internal Motion

机译：对二氟苯的N_2范德华配合物的高分辨率电子光谱。结构与内部运动

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摘要

Rotationally resolved fluorescence excitation spectra of the N_2 van der Waals complex of p-difluorobenzene (pDFB-N_2) have been recorded in the collision-free environment of a molecular beam. The data obtained provide information about the structure and internal motion of pDFB-N_2 in its ground (S_0) and excited (S_1) electronic states. In the ground state, the N_2 molecule sits at R ～ 3.5 A above the ring plane, is parallel to the short axis of the ring, and undergoes hindered internal rotation about the axis perpendicular to the ring with an apparent 2-fold barrier of ～10 cm~(-1). Excitation to the S_1 state decreases R by ～0.1 A and reduces the barrier to ～2 cm~(-1). The N_2 molecule appears to have no preferred orientation in the S_1 state. Photoinduced changes in the -electron distribution are responsible for this behavior. Despite this fact, the S_1-S_0 transition moment orientation in pDFB is unaffected by complex formation.
机译：对二氟苯（pDFB-N_2）的N_2 van der Waals配合物的旋转分辨荧光激发光谱已在分子束无碰撞的环境中记录。获得的数据提供了有关pDFB-N_2在其基态（S_0）和受激（S_1）电子状态下的结构和内部运动的信息。在基态下，N_2分子位于环平面上方的R〜3.5 A处，与环的短轴平行，并绕着垂直于环的轴进行受阻的内部旋转，具有约2倍的势垒10厘米〜（-1）激发到S_1状态会使R减小〜0.1 A，并将势垒减小至〜2 cm〜（-1）。 N_2分子在S_1状态下似乎没有优选的取向。电子分布的光诱导变化是造成这种现象的原因。尽管如此，pDFB中的S_1-S_0过渡矩方向不受复杂结构的影响。

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