Kaim Wolfgang, Hosmane Narayan S, Zális Stanislav, Maguire John A, Lipscomb William N
Institut für Anorganische Chemie, Universität Stuttgart, Pfaffenwaldring 55, 70550 Stuttgart, Germany.
Angew Chem Int Ed Engl. 2009;48(28):5082-91. doi: 10.1002/anie.200803493.
Paramagnetic compounds with at least partially boron-centered electron spin can be constructed using either the prototypically electron-accepting boron atoms bridged by planar pi-conjugated organic systems, or by taking advantage of the three-dimensional delocalized bonding in oligonuclear borane, haloborane, or carborane clusters. The concept of mixed valency can thus be transferred from organic and transition-metal chemistry to main-group-element molecules, and density functional theory is capable of reproducing the variable spin distribution.
具有至少部分以硼为中心的电子自旋的顺磁性化合物,可以通过由平面π共轭有机体系桥连的典型电子接受性硼原子来构建,或者利用寡核硼烷、卤代硼烷或碳硼烷簇中的三维离域键来构建。因此,混合价态的概念可以从有机化学和过渡金属化学转移到主族元素分子中,并且密度泛函理论能够再现可变的自旋分布。