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Electron Ionization Mass Spectrum of Tellurium Hexafluoride
Inorganic Chemistry ( IF 4.3 ) Pub Date : 2015-05-01 00:00:00 , DOI: 10.1021/acs.inorgchem.5b00342 Richard A. Clark 1 , Bruce K. McNamara 2 , Charles J. Barinaga 1 , James M. Peterson 2 , Niranjan Govind 3 , Amity Andersen 3 , David G. Abrecht 1 , Jon M. Schwantes 1 , Nathan E. Ballou 1
Inorganic Chemistry ( IF 4.3 ) Pub Date : 2015-05-01 00:00:00 , DOI: 10.1021/acs.inorgchem.5b00342 Richard A. Clark 1 , Bruce K. McNamara 2 , Charles J. Barinaga 1 , James M. Peterson 2 , Niranjan Govind 3 , Amity Andersen 3 , David G. Abrecht 1 , Jon M. Schwantes 1 , Nathan E. Ballou 1
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The electron ionization mass spectrum of tellurium hexafluoride (TeF6) is reported for the first time. The starting material was produced by direct fluorination of Te metal or TeO2 with nitrogen trifluoride. Formation of TeF6 was confirmed through cryogenic capture of the tellurium fluorination product and analysis through Raman spectroscopy. The eight natural abundance isotopes were observed for each of the set of fragment ions: TeF5+, TeF4+ TeF3+, TeF2+, TeF1+, and Te+, Te2+. A trend in increasing abundance was observed for the odd fluoride bearing ions, TeF1+ < TeF3+ < TeF5+, and a decreasing abundance was observed for the even fragment series, Te(F0)+ > TeF2+ > TeF4+ > TeF6+, with the molecular ion TeF6+ not observed at all. Density functional theory based electronic structure calculations were used to calculate optimized ground state geometries of these gas phase species, and their relative stabilities explain the trends in the data and the lack of observed signal for TeF6+.
中文翻译：
六氟化碲的电子电离质谱
首次报道了六氟化碲（TeF 6）的电子电离质谱。通过用三氟化氮直接氟化Te金属或TeO 2来生产原料。通过低温捕获碲氟化物产物并通过拉曼光谱分析确认了TeF 6的形成。对于每个碎片离子组，观察到了八个自然丰度同位素：TeF 5 +，TeF 4 + TeF 3 +，TeF 2 +，TeF 1 +和Te +，Te 2 +。观察到奇数含氟离子TeF 1 + <TeF 3 + <TeF 5 +的丰度增加趋势，而偶数碎片序列Te（F 0）+ > TeF 2 + > TeF的丰度下降。4 + > TeF 6 +，根本没有观察到分子离子TeF 6 +。基于密度泛函理论的电子结构计算用于计算这些气相物质的优化基态几何形状，它们的相对稳定性解释了数据的趋势以及TeF缺乏观测到的信号6 +。
更新日期：2015-05-01
中文翻译：
六氟化碲的电子电离质谱
首次报道了六氟化碲（TeF 6）的电子电离质谱。通过用三氟化氮直接氟化Te金属或TeO 2来生产原料。通过低温捕获碲氟化物产物并通过拉曼光谱分析确认了TeF 6的形成。对于每个碎片离子组，观察到了八个自然丰度同位素：TeF 5 +，TeF 4 + TeF 3 +，TeF 2 +，TeF 1 +和Te +，Te 2 +。观察到奇数含氟离子TeF 1 + <TeF 3 + <TeF 5 +的丰度增加趋势，而偶数碎片序列Te（F 0）+ > TeF 2 + > TeF的丰度下降。4 + > TeF 6 +，根本没有观察到分子离子TeF 6 +。基于密度泛函理论的电子结构计算用于计算这些气相物质的优化基态几何形状，它们的相对稳定性解释了数据的趋势以及TeF缺乏观测到的信号6 +。
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