SCCJ Cafe –Season 3– 北欧の理論化学 (3) 「Quintuple Bond と Effective Bond Order (EBO)」

抄録

In 2005 Gagliardi and Roos found the quintuple bond in uranium molecule using computational chemistry. It consists of three strong electron-pair bonds, two fully developed one-electron bonds, two weak one-electron bonds, and two localized electrons. Moreover, in a subsequent paper, Roos et al. defined the effective bond order (EBO) which gives a quantitative measure of the chemical bonding based on molecular orbitals. In this paper, the culture of quantum chemistry and life in Sweden are also briefly touched upon.