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首页> 外文期刊>Chemical Physics Letters >THE SMALL BINDING ENERGIES OF THE NEGATIVE CLUSTER IONS - SF5-(SF6)(1), SF6-(SF6)(1) AND F-(SF6)(N) (N=1 AND 2), IN THE GAS PHASE
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THE SMALL BINDING ENERGIES OF THE NEGATIVE CLUSTER IONS - SF5-(SF6)(1), SF6-(SF6)(1) AND F-(SF6)(N) (N=1 AND 2), IN THE GAS PHASE

机译:气相中负簇离子的小结合能-SF5-(SF6)(1),SF6-(SF6)(1)和F-(SF6)(N)(N = 1和2)

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The gas-phase clustering reactions of SF5-, SF6- and F- ions with SF6 were measured using a high-pressure mass spectrometer. The bond energies of SF5-(SF6)(1) and SF6-(SF6)(1) were estimated to be less than or equal to 2.3 kcal/mol. The bond energies of F-(SF6)(n) with n = 1 and 2 were determined to be 5.4 and approximate to 4.1 kcal/mol, respectively. This result indicates that the SF6 molecule is the weakest electrophilic reagent toward F- ever reported. This is mainly due to the exchange repulsion between the negative ions and fluorine atoms surrounding the reactive S atom. The structure of the cluster ion F-(SF6)(1) whose binding energy was surprisingly small was investigated by ab initio MO calculations. [References: 10]
机译:使用高压质谱仪测量SF5-,SF6-和F-离子与SF6的气相聚集反应。估计SF5-(SF6)(1)和SF6-(SF6)(1)的键能小于或等于2.3 kcal / mol。确定n = 1和2的F-(SF6)(n)的键能分别为5.4和大约4.1 kcal / mol。该结果表明,SF6分子是迄今为止报道的对F-最弱的亲电子试剂。这主要是由于负离子与反应性S原子周围的氟原子之间的交换排斥。通过从头算MO计算,研究了结合能极小的簇离子F-(SF6)(1)的结构。 [参考:10]

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