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N-Protonation vs O-Protonation in Strained Amides: Ab Initio Study

✍ Scribed by Cho, Seung Joo; Cui, Chunzhi; Lee, Jin Yong; Park, Jong Keun; Suh, Seung Bum; Park, Jaiwook; Kim, Byeang Hyean; Kim, Kwang S.

Book ID
120204969
Publisher
American Chemical Society
Year
1997
Tongue
English
Weight
187 KB
Volume
62
Category
Article
ISSN
0022-3263

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The electrostatic mokcular potentials arising from ab initio LCAO SCF -wavefunctions with two different gaussian basis sets are used to discuss the protonation of formamide. Oxygen pmtonation is clearly favoured. It h,as been suggested recently [l] that an approach to reactivity and in particular to