A Possible Reaction Channel from BrONO to BrNO2

• 作 者: HaiTaoYU XuRiHUANG 等
• 机 构: CollegeofChemistryandChemicalEngineering,StateKeyLaboratoryofTheoreticalandComputationalChemistry
• 出 处: 中国化学快报：英文版
• 发表日期: 2002年11期
• 关键词: 硝基溴化物 BrNO2 BrONO 异构化 反应通道 二氧化氮 溴亚硝酸盐 BrNO2 BrONO isomerization abstraction.
• 基金项目: 国家自然科学基金，黑龙江省自然科学基金，黑龙江大学校科研和教改项目

A possible isomerization channel from BrONO (bromine nitrite) to BrNO2 (nitryl bromide) is predicted by means of MP2 and QCISD(T) (single-point) methods. The channel is a direct bromine abstraction reaction from BrONO molecule by NO2 in which the forward