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Establishment of the C− NO Bond Dissociation Energy Scale in Solution and Its Application in Analyzing the Trend of NO Transfer from C-Nitroso Compound to Thiols

X Li, H Deng, XQ Zhu, X Wang, H Liang…

文献索引:Li, Xin; Deng, Hui; Zhu, Xiao-Qing; Wang, Xiaoxiao; Liang, Hao; Cheng, Jin-Pei Journal of Organic Chemistry, 2009 , vol. 74, # 12 p. 4472 - 4478

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被引用次数: 6

摘要

The first set of experimentally determined C− NO bond homolytic and heterolytic dissociation enthalpies in solution is derived by using direct titration calorimetry combined with appropriate electrode potentials through thermodynamic cycles. The homolytic bond dissociation energy scale (BDEs) of the corresponding C− NO bonds in the gas phase was also calculated at the MP2/6-311+ G**//B3LYP/6-31G* level and BP86/6-31G*//B3LYP/6- ...