Author/Authors :
Wang، نويسنده , , Xin and Tian، نويسنده , , Anmin and Wong، نويسنده , , N.B and Law، نويسنده , , Chi-Kin and Li، نويسنده , , Wai-Kee Wong، نويسنده ,
Abstract :
A Gaussian-3 investigation is carried out to examine the isomers of N7 clusters. Twelve species are found, five of which are reported for the first time, including the most stable isomer, I. Isomer I, with Cs symmetry, consists of a five-membered ring and an N2 side-chain. Natural bond orbital analysis is also carried out to study the bonding of the isomers. It is found that the stability of some of the more stable isomers is enhanced by conjugation or hyperconjugation.
