【摘 要】
：
Chemical bond is a fundamental concept in chemistry to describe the attraction between atoms in substances.Nowadays,an increasing number of chemists have focused on the two-electron/multicenter bond(2
【机 构】
：
Institute of Functional Material Chemistry,Faculty of Chemistry,Northeast Normal University,Changchu
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Chemical bond is a fundamental concept in chemistry to describe the attraction between atoms in substances.Nowadays,an increasing number of chemists have focused on the two-electron/multicenter bond(2e/mc)that was first introduced to describe the structure of radical dimers[1-2].In this work,we are mainly interested in the fascinating properties of a series of hetero-dimers with polar 2e/12c bond.For example,the hetero-dimer P-TAP is combined with different radical fragment with similar SOMO density to ensure the overlap of SOMO to form a 2e/12c bond.On the other hand,the difference of electronegativity between P and TAP is large enough to polarize the bonding electrons.Results show the interaction energy of hetero-dimers with polar 2e/12c bond is significantly larger than that of homo-dimers.Furthermore,the aromaticity,UV-Vis absorption spectrum,dipole moment and(hyper)polarizability of the hetero-dimers are systematically studied to comparatively show the fascinating properties induced by the new chemical interaction.
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