Title of article :
Nucleus independent chemical shifts and side dependent aromaticity of phospholes and their anionic silicon counterparts
Author/Authors :
Shee، نويسنده , , Nirmal K. and Datta، نويسنده , , Dipankar، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2014
Abstract :
The nucleus independent chemical shifts (NICS) on the two sides of the five membered rings in phospholes and the corresponding silolyl anions are found to be numerically not same. It is reflected in their chemical reactivity. It is concluded that the frontier molecular orbitals on the two sides in phospholes and their anionic silicon counterparts are different. So far, it has never been necessary to invoke such a concept in the molecular orbital theory.
Keywords :
Aromaticity , NICS , Phospholes , Silolyl anions
Journal title :
Computational and Theoretical Chemistry
Journal title :
Computational and Theoretical Chemistry