Conformational analysis of diaziridines derivatives

• In: Miscellaneous - Posters
• At: Beijing (China) (2007)
• Type: Poster
• Poster code: M-P-017
• By: BEKHRADNIA, Ahmadreza (Faculty of Pharmacy, Sari, Iran)
• Co-author(s): Arshadi, Sattar (Payame Noor University, BEHSHAHR, Iran)
  
• Abstract:

  Ab initio calculations are carried out at UHF/6-311+G (D) and UB3LYP/6-311++G (3df, 2p) levels of theory, on electrocyclic thermal cleavage of four (R) and (S) derivatives of diaziridines to their corresponding (Z) and (E) azomethine imides, where X = H, methyl, t-butyl and phenyl. Diaziridines studied consist of (6R) and..

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