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  5. Catalytic decomposition of methyl nitrite on Pd(111) from first-principles calculations

Catalytic decomposition of methyl nitrite on Pd(111) from first-principles calculations

来源 :The 7th Sino-US Conference of Chemical Engineering(第7届中美化学工程 | 被引量 : 0次 | 上传用户：xuxuanxxd
【摘 要】
：
Methyl nitrite (CH3ONO,MN) is a very reactive molecule in the gas phase because of its weak O-NO bond (the bond energy is 42 kcal/mol).Recently,the most important utilization of MN is to synthesize di
【作 者】
：
Chen Fan Wende Xiao 
【机 构】
：
School of Chemistry and Chemical Engineering,Shanghai Jiao Tong University,Shanghai 200240,China
【出 处】
：
The 7th Sino-US Conference of Chemical Engineering(第7届中美化学工程
【发表日期】
：
2013年11期
【关键词】
：
catalytic decomposition methyl nitrite Pd density functional theory 
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　　Methyl nitrite (CH3ONO,MN) is a very reactive molecule in the gas phase because of its weak O-NO bond (the bond energy is 42 kcal/mol).Recently,the most important utilization of MN is to synthesize dimethyl oxalate (DMO) by oxidative coupling reactions with CO at mild conditions,where the supported Pd catalysts are the most effective catalysts.
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