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    STUDIA CHEMIA - Issue no. 2%20(Tom%20I%20 / 2010  
         
  Article:   A THEORETICAL APPROACH ON THE STRUCTURE OF ARSAALLENES -As=C=C< AND ARSAPHOSPHAALLENES-As=C=P-.

Authors:  PETRONELA M. PETRAR, GABRIELA NEMEŞ, LUMINIŢA SILAGHI-DUMITRESCU. 		 
       
         
  Abstract:  

Calculations at the B3LYP/6-311 level were performed on a series of arsaallenes and arsaphosphaallenes of the type RAs=C=CR2 and RAs=C=PR in order to evaluate the nature of the As=C bond. The influence of several substituents (F, Cl, OMe, SiMe3) on the order of the bond was also investigated.

 

            Keywords: arsaallenes, arsaphosphaallenes, DFT calculations

  
         
     
         
         
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