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首页> 外文期刊>The Journal of Chemical Physics >Infrared observation of linear GeC3 trapped in solid Ar
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Infrared observation of linear GeC3 trapped in solid Ar

机译:固体Ar中捕获的线性GeC3的红外观察

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Linear GeC3 has been synthesized and its vibrational spectrum observed for the first time. The cluster was detected by Fourier transform infrared spectroscopy when the products from the dual laser ablation of either a pair of carbon and germanium rods or a single, sintered germanium-carbon rod were trapped in solid Ar at 10 K. Comparison of 13C isotopic shift measurements with the predictions of density functional theory calculations at the B3LYP/cc-pVDZ level has resulted in the identification of the 1 and 2 modes of linear GeC3 at 1903.9 and 1279.6 cm-1, respectively. For the related group IV clusters, this result is in contrast to SiC3 for which two cyclic isomers have been observed but similar to C4 for which only the linear isomer has been observed spectroscopically.
机译:线性GeC3已被合成,并且它的振动光谱是第一次被观察到。当将一对碳和锗棒或单个烧结的锗碳棒的双激光烧蚀产物捕获在10 K的固态Ar中时,通过傅里叶变换红外光谱法检测到了该团簇。13C同位素位移测量的比较根据密度泛函理论的预测,在B3LYP / cc-pVDZ级别进行的计算分别确定了线性GeC3在1903.9和1279.6 cm-1处的1和2个模式。对于相关的IV族团簇,该结果与已经观察到两个环状异构体的SiC 3相反,但是与在光谱学上仅观察到线性异构体的C 4相似。

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