Reactions of Acetyl Radical with Acetylene ? A Computational Study Tu Anh Tran, Carl H. Schiesser*

Bulletin of the Korean chemical society

Ab initio¹  DFT molecular orbital calculations predict that acetyl radical reacts with acetylene through interactions primarily involving the SOMO of the radical¹  the in plane ¥ð bond of acetylene An energy barrier (¥ÄE1) of 39.6 kJ mol¹ is predic¹ 

关键词: Acetyl radical;    Acetylene;    Molecular orbital calculations;   

DOI  :  

学科分类：化学（综合）

来源: Korean Chemical Society

【 授权许可】

Unknown