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DFT studies on the mechanism of the cycloaddition reaction between methyleneketene and 5-methylene-1,3-dioxan-4,6-dione: regioselectivity and solvent effect

✍ Scribed by Ying-Hong Sheng; De-Cai Fang; Yun-Dong Wu; Xiao-Yuan Fu; Yuansheng Jiang


Book ID
114143561
Publisher
Elsevier Science
Year
1999
Tongue
English
Weight
205 KB
Volume
488
Category
Article
ISSN
0166-1280

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## Abstract The reaction mechanism and solvent‐dependant regioselectivity of 1,3‐dipolar cycloaddition reactions between azide and acetylene derivatives have been studied using computational methods. The two possible reaction transition states were located. Geometry and NBO analysis found that the