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首页> 外文期刊>Chemical Physics: A Journal Devoted to Experimental and Theoretical Research Involving Problems of Both a Chemical and Physical Nature >First infrared spectroscopic characterization of digermyl (Ge2H5) and d5-digermyl (Ge2D5) radicals in low temperature germane matrices
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First infrared spectroscopic characterization of digermyl (Ge2H5) and d5-digermyl (Ge2D5) radicals in low temperature germane matrices

机译:低温锗烷基质中的二锗烷基(Ge2H5)和d5-二甲基(Ge2D5)自由基的首次红外光谱表征

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摘要

The digermyl, Ge2H5 (X(2)A') and d5-digermyl, Ge2D5(X(2)A'), radicals were detected for the first time in low temperature germane and d4-germane matrices at 12 K via infrared spectroscopy after an irradiation of the samples with mono energetic electrons. Considering a scaling factor of 0.97, ab initio calculations showed that the most intense absorption of the digermyl radical should be observable for the nu(6) fundamental at 770 cm(-1) Ge2H5 (X(2)A') and 547 cm(-1) Ge2D5(X(2)A'), respectively. The actually experimental results (765 cm(-1) and 561 cm(-1)) are in good agreement with these computed data; we also detected the nu(4)u(12) mode of the d5-digermyl radical at 616 cm(-1). These data may aid in the monitoring of time resolved infrared spectroscopy of germane chemical vapor deposition processes and can also guide prospective observations of germanium-bearing molecules in the atmospheres of Jupiter and Saturn in the infrared regime to better understand the chemical evolution of planetary atmospheres under extreme environments. (c) 2006 Elsevier B.V. All rights reserved.
机译:在低温锗烷和d4-germane矩阵中,在12 K下通过红外光谱法首次检测到digermyl Ge2H5(X(2)A')和d5-digermyl Ge2D5(X(2)A')自由基。用单能电子辐照样品。考虑到0.97的缩放系数,从头算计算表明,对于nu(6)基本元素在770 cm(-1)Ge2H5(X(2)A')和547 cm( -1)分别为Ge2D5(X(2)A')。实际的实验结果(765 cm(-1)和561 cm(-1))与这些计算数据非常吻合。我们还检测到616 cm(-1)上的d5-二甲基自由基的nu(4)/ nu(12)模式。这些数据可能有助于监测锗化学气相沉积过程的时间分辨红外光谱,还可以指导在木星和土星大气中的含锗分子在红外条件下的前瞻性观察,以更好地了解在此条件下行星大气的化学演化。极端环境。 (c)2006 Elsevier B.V.保留所有权利。

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