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First far-infrared high-resolution analysis of the nu(2) band of sulphur dioxide (SOO)-S-32-O-16-O-18 and (SO2)-S-32-O-18

机译:二氧化硫(SOO)-S-32-O-16-O-18和(SO2)-S-32-O-18 nu(2)波段的首次远红外高分辨率分析

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High-resolution Fourier transformpectra of O-18-enriched isotopic samples of sulphur dioxide' ((SOO)-S-32-O-16-O-18 and (SO2)-S-32-O-18) have been recorded at 0.00102 cm(-1) resolution In the 400-620 cm(-1) region. at Synchrotron SOLEIL These spectra have been recorded at low temperature 185 K using a 314 rn pt cal path length cryogenic cell. This enables the first detailed infrared analysis of the nu(2) bands o h and 3251802 isotopologues of Hamiltonian dioxide located at 50736541(1) and 496,599880 Cmmm1 respectively. Usinga Watson-type Hamiltoma model to compute the upper and lower state energy levels, it was passible to reproduce the observed transitions. For both species, accurate rota ional and centrifugal distortion constants were derived for the, upper (0,1,0) vibrational state,while' hose of the (0,0,0) ground state were significantly updated. For this task, we combined the results' of he present infrared measurements with the available fiterature microwave datain the (0 0,0) and) vibrational states. Finally, we took the opportunity of this study to compare t hequality f he fit using an A- and S-type reduction for the Watson Hamiltonian.
机译:富含O-18的二氧化硫同位素样品((SOO)-S-32-O-16-O-18和(SO2)-S-32-O-18)的高分辨率傅里叶变换光谱已记录在0.00102 cm(-1)分辨率在400-620 cm(-1)区域。在Synchrotron SOLEIL上,这些光谱是使用314 rn pt cal路径长度的低温池在185 K低温下记录的。这使得能够对分别位于50736541(1)和496,599880 Cmmm1的哈密顿二氧化氮的nu(2)带o h和3251802同位素进行首次详细的红外分析。使用Watson型Hamiltoma模型来计算上下状态能级,重现观察到的跃迁是可行的。对于这两个种类,都得出了较高(0,1,0)振动状态的精确旋转和离心变形常数,同时显着更新了(0,0,0)基态的软管。对于此任务,我们将当前红外测量的结果与(0 0,0)和()振动状态下可用的陶瓷微波特性数据相结合。最后,我们利用本研究的机会比较了使用Watson哈密顿量的A型和S型归约法比较适合的质量。

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