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STUDIA CHEMIA - Issue no. 2 (Tom I / 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. |
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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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