New examples of metalloaromatic Al-clusters:(Al_4M_4)Fe(CO)_3(M = Li,Na and K)and(Al_4M_4)_2Ni:rationalization for possible synthesis

摘要

Ab initio calculations reveal that all-metal antiaromatic molecules like Al_4M_4,(M = Li,Na and K)can be stabilized in half sandwich(Al_4M_4)Fe(CO_3)and full sandwich(Al_4M_4)_2Ni complexes.The formation of the full sandwich complex [(Al_4M_4)_2Ni] from its organometallic precursor depends on the stability of the organic-inorganic hybrid(C_4H_4)Ni(Al_4Li_4).The concept of aromaticity and antiaromaticity is of fundamental importance to structural chemistry.This concept has been recently extended from organic molecules to metallic systems like those of Al and Sn.