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Rotationally resolved B-X electronic spectra of both conformers of the 1-propoxy radical

机译:1-丙氧基自由基的两个构象物的旋转分辨B-X电子光谱

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Five bands of the B-X laser induced fluorescence spectrum of jet-cooled 1-propoxy radical have been recorded with a spectral resolution of approx = 200 MHz. The resolved rotational and fine structure of these bands has been assigned and analyzed providing rotational constants for both the X and B states as well as components of the electron spin-rotation tensor in the X state. By comparison of these constants with ones obtained from quantum chemistry calculations, two bands have been assigned to the gauche (G) conformer of 1-propoxy and 3 bands to the trans (T) conformer. The spectrum of each conformer abruptly terminates after the excitation of a single C-O stretch.
机译:用B-X激光诱导的喷射冷却的1-丙氧基自由基的荧光光谱的五个带已记录,光谱分辨率约为200 MHz。已分配和分析了这些带的解析旋转和精细结构,并提供了X和B状态的旋转常数以及X状态下电子自旋旋转张量的分量。通过将这些常数与从量子化学计算中获得的常数进行比较,已将两个谱带分配给1-丙氧基的gauche(G)构象异构体,将3个谱带分配给反式(T)构象异构体。每个构象体的光谱在激发单个C-O片段后突然终止。

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