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…

Index: 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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Citation Number: 6

Abstract

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- ...