Quantum-chemical Theory of Cumulenes - perspective molecular conductors for nanoelectronics
Papers | 07 Mar 2012 | Contributor(s):: Yuri A Kruglyak
The theory of pi-electronic structure is presented for molecules of organic cumulenes CnH4 which have two perpendicular subsystems of pi-AO. Elementary considerations from MO theoryshow stability of planar D2h conformations for cumulenes with an even number of carbon atoms andof turned D2d...