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)
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.. The access to the whole abstract and the presentation file is available to FIP members and to congress participants of that specific congress.