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A new insight to racemizations of 1,2,4,6-cycloheptatetraenes

  • At: 2007 FIP Congress in Beijing (China)
  • Type: Poster
  • By: BEKHRADNIA, Ahmadreza (Faculty of Pharmacy, Sari, Iran)
  • Co-author(s): Arshadi, Sattar (Payame Noor University, BEHSHAHR, Iran)
  • Abstract:

    Racemizations of three series of non-planar 1-, 4- and 5-X-C7H5 cyclic conjugated allenes are investigate using ab initio HF, B3LYB and MP2 methods with a 6-31G* basis set (X= H, F, Cl, Br, I, OH, NH2, CN and NO2). These three differently substituted series of allenes are found to go through their corresponding planar 2-, 3- and 4-X-C7H5 singlet..

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Last update 4 October 2019

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